data_1ugo_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 1ugo _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 ' 14' ' ' HIS . . . . . 0.454 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 12.8 t-80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.454 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.03 -5.63 17.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.403 ' HB2' ' ND1' ' A' ' 14' ' ' HIS . 50.1 m -99.06 -34.2 10.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.9 mm -68.57 -55.04 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -53.06 -43.26 66.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -56.35 -62.41 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' GLN . 32.5 mt -50.53 -36.57 34.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -71.41 -24.5 62.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.5 mt-10 -92.66 -15.59 26.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.4 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 2.7 mt -101.34 -30.26 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' LEU . 2.8 mt-30 -68.75 -52.78 26.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -54.89 -21.52 11.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -76.5 -57.71 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.507 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 17.6 m -60.37 -31.19 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -41.45 34.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -70.25 -13.07 62.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.507 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.6 pp -115.19 -5.84 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 12.8 tt0 -52.35 -45.52 94.84 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.0 -31.95 5.78 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -57.46 -24.21 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.6 t -94.26 -49.85 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.1 t -59.4 -33.74 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.19 19.01 55.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.562 ' CD1' HD12 ' A' ' 49' ' ' LEU . 41.8 t80 -73.51 168.83 18.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 0.772 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.448 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -165.28 83.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.26 143.17 7.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 94' ' ' SER . 1.1 mm? -58.22 164.33 2.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 46' ' ' TYR . 7.0 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.475 0.179 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -64.42 -59.18 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -43.11 -62.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 37' ' ' PHE . 14.3 mt -43.69 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -48.89 -53.4 19.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -48.98 12.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.1 mt -51.35 -64.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CD2' HD11 ' A' ' 30' ' ' ILE . 41.4 mt -51.42 -52.08 49.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -53.59 -38.72 64.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.432 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -52.52 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.4 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 25.7 mm100 -55.79 -47.31 77.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.252 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 1.3 tm? -55.08 -57.56 11.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.34 -28.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -78.52 -32.21 47.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 57' ' ' LEU . 47.6 mt -62.24 -49.08 85.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.52 -25.13 67.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.91 -24.77 55.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 t -71.04 115.01 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -78.5 151.5 32.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.1 p -110.23 -50.93 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.22 20.7 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.59 53.88 4.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 71' ' ' ILE . 32.4 mttm -126.64 92.23 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -37.14 -58.21 1.28 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' GLY . 6.3 m-20 -39.02 -44.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 68' ' ' LYS . 96.0 mt -84.77 -57.87 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.23 -49.39 2.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -61.29 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -49.12 -61.43 2.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -42.54 -69.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -50.89 -35.75 34.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -69.59 -23.83 63.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -93.3 -28.1 16.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.3 83.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -83.58 -39.83 19.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -54.6 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' A' ' 57' ' ' LEU . 94.6 m -51.08 -61.05 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.368 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -49.65 -44.92 47.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -62.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 3.1 mm? -51.51 -52.13 49.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.4 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -42.28 -50.89 4.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -56.22 -51.97 66.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' LEU . 3.8 mm-40 -46.19 -55.0 7.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' GLU . 31.6 tp -39.5 -64.65 0.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' LEU . 1.5 mt-10 -38.41 -41.97 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.259 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.96 -60.77 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -44.56 -35.0 2.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.01 -75.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.466 ' CB ' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.997 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.564 ' CE1' HD12 ' A' ' 71' ' ' ILE . 9.5 t-80 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -75.02 -15.37 20.73 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -87.86 -41.53 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.049 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -66.49 -49.18 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.3 t -54.49 -21.82 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.442 ' HG3' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -84.87 -59.01 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.495 HD12 ' CG1' ' A' ' 63' ' ' VAL . 11.0 mp -49.08 -49.51 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -46.32 -33.54 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -32.19 28.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' A' ' 19' ' ' ARG . 12.0 mt -74.0 -40.55 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -59.75 -60.78 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -48.03 -30.83 4.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ALA . 4.7 mm-40 -71.76 -72.6 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.508 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 9.7 m -45.78 -29.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -79.64 -41.25 27.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' GLU . . . -69.34 -13.81 62.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.508 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.9 pp -113.3 -3.16 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.629 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 21.1 tt0 -55.88 -44.19 99.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.01 -27.85 9.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.405 ' NE2' HG22 ' A' ' 30' ' ' ILE . 22.7 mt-30 -62.41 -21.21 65.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' HD13 ' A' ' 89' ' ' LEU . 54.0 t -97.26 -47.59 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.6 t -61.82 -38.1 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.34 26.62 23.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.543 ' CD1' HD12 ' A' ' 49' ' ' LEU . 37.6 t80 -77.47 173.78 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 52.9 p -174.76 79.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.45 -135.28 2.45 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' CD2' ' A' ' 46' ' ' TYR . 8.6 mt -123.28 157.29 33.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 0.774 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.601 ' O ' ' CE2' ' A' ' 46' ' ' TYR . 5.0 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 41' ' ' SER . 7.8 t80 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.477 0.179 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' TYR . 40.5 mmtt -39.07 -63.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.39 -57.63 5.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD12 ' CD1' ' A' ' 37' ' ' PHE . 10.7 mt -50.76 -64.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -45.45 -52.43 10.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' NH1' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -50.34 -49.59 53.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 49' ' ' LEU . 12.5 mt -49.12 -57.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' CD2' HG22 ' A' ' 82' ' ' THR . 26.7 mt -59.78 -52.65 64.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -49.87 -51.44 40.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.42 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.428 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.95 -62.26 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 11.0 mm100 -48.19 -47.35 35.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.3 tm? -54.71 -56.67 16.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -47.8 -27.6 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.1 -31.38 44.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' LEU . 65.3 mt -62.69 -42.59 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.7 -24.84 59.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -28.23 58.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.495 ' CG1' HD12 ' A' ' 20' ' ' LEU . 37.3 t -72.7 116.42 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.27 137.87 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.1 p -93.49 -45.62 7.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 110.359 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.98 41.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.9 60.12 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -110.23 -27.37 9.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.99 -61.87 2.23 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -41.12 -57.91 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 14' ' ' HIS . 12.2 mt -72.2 -54.41 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -44.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -66.96 -57.0 7.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -55.38 -68.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.434 ' HG2' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -38.33 -64.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.24 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -40.26 -59.33 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -54.47 -48.99 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.43 -51.8 61.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.03 -39.47 55.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -74.99 -44.51 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -51.99 67.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.434 HG22 ' CD2' ' A' ' 53' ' ' LEU . 99.5 m -54.01 -55.66 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.403 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.75 -55.11 33.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.95 -53.79 1.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.406 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 2.8 mm? -57.89 -53.66 55.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.411 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -43.57 -47.02 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -54.61 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -40.8 -45.11 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.533 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 7.6 tp -47.85 -56.07 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -42.11 -58.76 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -65.55 -60.87 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -40.38 -42.39 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' A' ' 41' ' ' SER . . . -39.85 -78.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.556 ' CE1' HD12 ' A' ' 71' ' ' ILE . 8.3 t-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -26.97 10.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.3 m -78.07 -43.04 30.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.401 ' CD1' HG12 ' A' ' 71' ' ' ILE . 17.2 mm -65.14 -51.54 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.2 t -58.81 -20.14 47.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -52.86 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 75' ' ' ARG . 5.9 mt -58.23 -40.29 81.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -56.31 -33.99 66.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -78.16 -38.38 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.263 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -68.08 -41.28 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -48.15 -25.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 5.0 mm-40 -73.75 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.44 ' O ' ' CG1' ' A' ' 30' ' ' ILE . 9.7 m -59.19 -38.8 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' N ' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -54.42 -34.48 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.77 -2.34 23.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.478 ' CD1' HD12 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -111.02 -14.22 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.609 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 19.6 tt0 -53.85 -44.68 98.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.97 -27.85 9.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.46 ' CB ' HD23 ' A' ' 49' ' ' LEU . 14.4 mt-30 -67.57 -20.36 65.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.8 t -93.91 -44.08 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.4 -40.51 88.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.52 23.36 36.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 11.3 t80 -74.11 152.9 39.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.13 85.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.32 150.93 8.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mt -52.36 175.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.425 ' HA ' ' CE2' ' A' ' 46' ' ' TYR . 1.6 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.964 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.425 ' CE2' ' HA ' ' A' ' 41' ' ' SER . 13.4 t80 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.524 0.202 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -46.21 -62.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -38.88 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 33' ' ' GLN . 7.8 mp -39.31 -64.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -45.34 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' LYS . 23.4 mmt180 -44.4 -47.13 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.0 mt -55.25 -47.56 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.478 HD12 ' CD1' ' A' ' 30' ' ' ILE . 16.2 mt -65.88 -44.48 85.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.406 HG21 ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -63.28 -34.45 77.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 51' ' ' ARG . 3.7 mptt -74.72 -54.74 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -59.92 -44.31 94.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.3 tm? -54.23 -56.77 15.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -47.94 -27.55 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.14 -30.88 43.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' LEU . 58.2 mt -63.11 -43.99 99.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.22 -23.44 62.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -77.31 -31.53 54.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.4 t -64.01 111.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -74.88 150.36 39.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.3 p -115.55 -38.02 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.0 42.1 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.9 65.98 0.84 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -113.16 -36.45 5.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.47 -61.78 0.74 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -40.38 -49.83 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.756 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.556 HD12 ' CE1' ' A' ' 14' ' ' HIS . 37.8 mt -81.07 -54.06 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -40.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -50.42 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' ARG . . . -65.31 -64.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.415 ' N ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -37.94 -64.72 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -53.35 -40.6 65.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -66.23 -18.44 65.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -98.47 -17.96 18.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.35 -32.25 60.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -87.59 -33.14 18.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.61 -52.13 66.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -59.84 -50.63 73.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.379 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.17 -47.32 86.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -47.15 -49.51 22.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.7 -43.52 88.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.47 ' HG ' ' CD1' ' A' ' 53' ' ' LEU . 4.2 mt -51.01 -43.99 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -58.17 -59.54 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -47.47 -49.83 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.6 tp -40.51 -71.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -39.78 -40.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.74 -64.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -50.95 -24.7 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.572 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -41.09 -72.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 16.4 t-80 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.03 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.1 m -102.43 -29.88 11.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.046 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.405 ' CD1' HG12 ' A' ' 71' ' ' ILE . 20.1 mm -74.66 -46.2 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.5 t -62.25 -40.6 96.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -59.29 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.3 mt -52.96 -37.12 60.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -64.84 -20.54 66.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.58 -10.08 22.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.416 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 5.3 mt -99.47 -35.52 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -67.98 -49.79 59.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -56.84 -22.75 38.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -74.49 -56.87 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.514 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 19.1 m -62.81 -30.56 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -75.97 -41.11 52.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.92 -13.71 62.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.514 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.1 pp -116.15 -1.5 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.567 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 5.9 tt0 -57.48 -47.12 99.54 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.01 -13.4 21.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -28.38 63.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.48 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -95.75 -41.48 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.0 t -62.56 -34.14 63.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.14 22.43 39.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CG ' ' N ' ' A' ' 38' ' ' SER . 59.6 t80 -79.01 171.79 14.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.515 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -168.31 92.77 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.5 -135.16 1.77 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -139.6 149.15 43.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.573 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 6.0 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.456 0.17 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -51.82 -50.86 60.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.69 -60.0 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.421 ' CB ' HD23 ' A' ' 89' ' ' LEU . 75.6 mt -47.63 -63.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.455 ' OE1' ' CD2' ' A' ' 86' ' ' LEU . 3.0 tt0 -47.73 -43.85 27.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.07 -58.37 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mp -48.14 -41.9 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.83 -56.68 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.356 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -42.06 64.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -62.99 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 25.3 mm100 -46.32 -45.21 17.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.2 tm? -54.52 -56.81 15.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -47.91 -27.59 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -79.07 -31.1 44.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 57' ' ' LEU . 68.0 mt -62.18 -41.63 92.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -72.12 -25.26 61.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -16.12 61.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.066 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.9 t -78.78 116.86 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -78.76 160.78 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.1 p -122.14 -52.65 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.62 26.34 5.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.56 56.24 4.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' ILE . 26.8 mttm -130.28 91.64 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -40.22 -58.41 2.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' GLY . 80.0 m-20 -38.48 -35.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 68' ' ' LYS . 72.7 mt -94.12 -56.85 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.85 -43.16 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -62.26 -60.52 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -50.04 -58.11 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -63.55 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -57.16 -21.63 34.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -83.96 -24.92 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -90.15 -28.18 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.73 -14.44 62.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -99.1 -45.13 6.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -55.35 27.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.432 ' OG1' ' CG1' ' A' ' 27' ' ' VAL . 1.3 m -54.71 -54.4 42.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.97 -24.94 63.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -49.69 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.48 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 3.0 mt -59.49 -47.11 86.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.455 ' CD2' ' OE1' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -45.75 -27.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -43.69 15.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 85' ' ' LEU . 6.1 mm-40 -60.65 -41.24 94.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.573 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 8.4 tp -59.05 -51.53 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -35.62 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 110.332 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -59.67 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -52.54 -33.22 44.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -45.09 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.506 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.1 t-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.506 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.03 -16.44 20.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 t -90.78 -17.54 26.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.3 mm -92.46 -55.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 t -52.34 -22.14 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.26 -46.29 18.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -62.33 -44.13 97.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -51.63 -34.6 38.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -30.41 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.429 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 2.6 mt -79.26 -37.21 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -65.29 -57.39 8.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -49.63 -27.89 5.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -72.64 -70.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.499 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 6.3 m -50.54 -31.14 8.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -36.11 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.43 -5.22 35.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.8 pp -123.9 5.51 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.647 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 26.2 tt0 -68.99 -42.87 24.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.0 -0.7 10.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -88.59 -53.48 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.491 HG12 ' CD2' ' A' ' 85' ' ' LEU . 1.2 p -62.7 -39.52 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.3 t -58.14 -46.47 88.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.16 34.23 5.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 15.4 t80 -87.0 158.78 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.04 102.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.76 41.39 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 111.041 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt 50.42 -178.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.1 t80 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.526 0.203 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -47.84 -65.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -67.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.508 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 74.8 mt -43.61 -65.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' N ' HD22 ' A' ' 89' ' ' LEU . 3.0 tt0 -45.1 -51.7 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -56.55 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.5 mt -41.21 -43.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 30' ' ' ILE . 69.9 mt -71.09 -54.52 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.91 -40.5 57.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.09 . . . . 0.0 110.359 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -67.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 28.6 mm100 -44.84 -45.59 10.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.1 tm? -53.87 -57.25 11.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.78 -27.65 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.49 -31.6 42.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.6 mt -63.24 -50.07 80.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -61.0 -25.21 66.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -47.11 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -45.48 115.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.6 164.15 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.5 p -129.55 -54.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.1 33.68 2.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.6 63.92 2.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -110.66 -29.53 7.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.746 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.2 -64.4 2.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.148 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -39.82 -42.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 0.739 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 14' ' ' HIS . 15.7 mt -89.67 -51.05 12.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.67 -30.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -54.24 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -59.41 -57.16 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -62.51 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -56.1 -26.28 49.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -79.7 -24.99 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -91.15 -27.68 18.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -18.51 63.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -96.97 -43.08 7.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -60.13 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -48.23 -58.7 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -56.62 -29.25 61.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -42.56 99.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.491 ' CD2' HG12 ' A' ' 34' ' ' VAL . 8.2 mt -75.09 -51.4 13.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.04 -32.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 85' ' ' LEU . 8.4 mmtm -69.13 -55.71 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.0 mm-40 -55.64 -28.77 57.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.516 HD11 ' CD2' ' A' ' 37' ' ' PHE . 5.1 tp -54.26 -58.63 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.88 -54.84 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -66.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.406 ' ND2' ' HB3' ' A' ' 88' ' ' GLU . 19.0 m-80 -40.95 -37.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.562 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -40.25 -73.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.99 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.486 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.5 t-80 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.97 -5.07 16.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 m -96.12 -29.29 14.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.966 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.461 ' CD1' HG12 ' A' ' 71' ' ' ILE . 24.2 mm -76.25 -48.78 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.0 t -58.32 -19.04 31.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -81.78 -58.35 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.09 -33.66 53.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -63.45 -28.74 70.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.56 -12.77 38.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.9 mt -98.24 -40.57 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.69 -46.35 88.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -23.97 64.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -77.19 -64.33 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.499 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 13.0 m -54.76 -28.42 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -39.99 38.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.39 -10.56 58.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.5 pp -117.92 7.87 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 28.2 tt0 -70.08 -42.88 18.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.02 0.62 8.7 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -88.59 -55.57 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.485 ' CG2' HD12 ' A' ' 89' ' ' LEU . 1.1 p -64.46 -39.16 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.56 -39.78 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.51 28.61 12.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 9.0 t80 -84.32 146.49 27.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 111.055 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.404 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -143.54 113.04 6.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.08 -127.07 1.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mt -133.38 -174.55 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.429 ' O ' ' CE1' ' A' ' 46' ' ' TYR . 50.2 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CE1' ' O ' ' A' ' 41' ' ' SER . 44.0 t80 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.515 0.197 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -50.05 -53.04 29.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -68.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 mt -42.44 -54.82 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.411 ' N ' HD21 ' A' ' 89' ' ' LEU . 24.4 tt0 -55.83 -51.71 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 16.6 mmt85 -52.02 -39.66 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.356 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.0 mt -63.19 -53.58 44.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.439 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . 75.5 mt -61.58 -51.91 66.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -46.67 85.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -63.07 -45.97 89.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 9.2 mm-40 -61.29 -51.53 68.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -51.76 -52.91 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.7 -26.47 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HG3' ' CE ' ' A' ' 55' ' ' LYS . 1.3 mm-40 -81.12 -31.64 34.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.4 mt -61.8 -44.34 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -65.09 -25.53 67.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -36.21 68.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.0 t -58.95 117.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.69 148.64 33.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.9 p -106.96 -48.88 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.449 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.08 27.4 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.38 56.9 10.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' ILE . 3.5 mttm -131.33 93.87 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.265 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -37.81 -57.92 1.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' GLY . 12.8 m-20 -36.79 -40.9 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.461 HG12 ' CD1' ' A' ' 17' ' ' ILE . 83.0 mt -89.34 -59.94 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -40.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 4.6 mt-30 -65.09 -56.99 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.06 -52.23 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -69.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -51.06 -31.83 19.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -68.17 -35.61 78.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.11 -39.54 23.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -55.59 -27.64 50.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 84' ' ' ARG . 44.9 mt-30 -89.56 -46.75 8.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -62.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.244 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -51.26 -40.84 59.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 9.2 mm-40 -73.7 -21.9 60.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -71.47 -46.75 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.474 HD22 ' CG1' ' A' ' 34' ' ' VAL . 6.0 mt -66.71 -50.47 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.439 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -43.83 -38.42 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -60.08 -46.45 89.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 1.1 mm-40 -63.72 -41.13 98.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.252 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.485 HD12 ' CG2' ' A' ' 34' ' ' VAL . 6.9 tp -45.43 -36.88 4.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -48.12 64.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.6 -62.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -42.06 -39.78 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.561 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -40.38 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.571 ' CE1' HD12 ' A' ' 71' ' ' ILE . 18.0 t-80 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.05 -13.37 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.414 ' HB2' ' ND1' ' A' ' 14' ' ' HIS . 19.5 m -93.97 -23.79 17.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 mm -85.2 -40.01 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -59.5 -24.35 63.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 110.068 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -49.64 13.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.71 -40.46 72.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -58.1 -28.14 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.94 -21.62 27.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.9 mt -87.54 -37.46 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -64.15 -55.25 23.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 10.1 ptm180 -52.11 -23.64 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.76 -67.38 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.49 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 9.1 m -53.69 -30.11 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' N ' HG21 ' A' ' 27' ' ' VAL . 2.7 tppp? -77.57 -40.96 40.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -68.36 -9.92 51.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.6 pp -118.97 3.97 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.641 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 21.3 tt0 -64.19 -43.28 73.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.0 0.79 8.48 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -94.52 -9.64 34.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.473 ' CG2' HD12 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -118.93 -38.89 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.53 -54.09 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.73 38.96 2.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 38' ' ' SER . 66.1 t80 -86.96 162.31 17.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.417 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -152.68 123.75 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 156.82 -149.75 20.66 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -109.64 179.07 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.562 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 5.6 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.562 ' CD1' ' HA ' ' A' ' 41' ' ' SER . 63.5 t80 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.494 0.187 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -64.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -44.92 -53.95 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.405 ' CD1' HD13 ' A' ' 89' ' ' LEU . 19.9 mt -44.96 -53.0 8.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -67.78 -52.09 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -43.93 -42.45 5.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.4 mt -62.88 -58.71 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 98.3 mt -53.44 -58.15 8.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.72 -43.44 65.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 36.4 tptt -64.28 -64.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 30.2 mm100 -46.13 -43.51 15.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.1 tm? -52.16 -56.66 13.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.03 -28.25 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 3.7 mm-40 -78.94 -30.46 44.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' LEU . 63.7 mt -62.99 -44.25 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -68.79 -30.73 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -39.16 83.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.447 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 8.3 t -54.65 111.26 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -66.03 127.87 33.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.458 HG22 ' CZ ' ' A' ' 75' ' ' ARG . 58.3 p -97.3 -47.82 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.37 41.01 20.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.7 49.24 2.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -91.53 -46.19 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 71' ' ' ILE . . . 114.26 -62.25 0.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -43.29 -28.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.571 HD12 ' CE1' ' A' ' 14' ' ' HIS . 26.0 mt -100.74 -51.09 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -24.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -53.13 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -67.1 -57.87 5.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.458 ' CZ ' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -37.69 -71.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 77' ' ' ARG . 14.3 pttp -49.06 -50.69 35.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 76' ' ' LYS . 15.2 mmt180 -50.4 -43.52 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -72.37 -48.04 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.42 -41.68 52.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -70.57 -46.26 63.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -50.49 63.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.64 -55.71 24.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -53.77 -28.89 37.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -62.42 -54.55 38.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.441 ' CD2' HG13 ' A' ' 34' ' ' VAL . 4.2 mt -61.71 -40.43 94.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.63 -22.03 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.91 -39.8 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.59 -45.3 93.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' A' ' 34' ' ' VAL . 11.5 tp -42.07 -61.99 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -43.54 -63.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -53.1 -60.69 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -42.7 -51.78 5.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -41.03 -82.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 13.9 t-80 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.0 -1.83 11.74 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.1 m -101.06 -39.64 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mm -62.68 -53.48 46.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.0 t -52.85 -43.66 66.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -57.73 11.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.9 mt -53.01 -39.47 63.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -67.29 -32.47 73.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.01 -23.46 41.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.418 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 1.8 mt -90.52 -39.53 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -61.42 -50.5 72.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -55.86 -31.96 63.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.88 -60.47 2.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.49 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 11.3 m -59.78 -28.84 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -77.23 -40.12 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.64 -11.07 59.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.6 pp -117.81 4.6 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.653 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 21.0 tt0 -64.94 -42.22 60.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.0 -0.35 9.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -94.02 -10.39 33.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.16 -32.65 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.8 t -61.61 -43.32 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.62 31.93 7.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -85.65 152.8 22.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.59 117.98 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.05 144.9 4.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mt -44.71 165.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.556 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 78.2 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.556 ' CD2' ' HA ' ' A' ' 41' ' ' SER . 52.2 t80 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.516 0.198 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -44.92 -67.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -40.25 -67.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.461 ' CD2' HD12 ' A' ' 89' ' ' LEU . 2.9 mp -40.03 -66.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.54 -53.78 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -55.86 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.5 mt -48.78 -57.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.6 mt -54.27 -58.46 7.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -51.31 -34.33 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.374 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' HG21 ' A' ' 54' ' ' THR . 3.3 mptp? -74.14 -55.01 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 19.5 mm100 -53.97 -47.14 71.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.2 tm? -55.03 -57.68 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.53 -27.14 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.77 -32.62 40.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.0 mt -62.33 -51.25 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -60.05 -24.84 64.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.52 -30.27 57.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.61 114.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -74.81 151.99 39.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.3 p -110.56 -36.88 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 59.75 25.09 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.88 56.7 10.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -129.46 100.85 5.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -38.38 -56.8 1.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' GLY . 21.8 m-20 -38.7 -55.59 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' A' ' 14' ' ' HIS . 78.3 mt -73.57 -58.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -37.52 -54.11 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.34 -59.48 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -50.56 -61.7 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -44.88 -69.66 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -48.83 -40.41 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -64.94 -28.65 69.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -86.77 -36.75 18.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.92 -18.55 45.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' ARG . 94.4 mt-30 -99.86 -49.57 4.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.84 -52.69 10.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -58.13 -60.57 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -58.01 -16.31 12.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -74.2 -46.52 41.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 86' ' ' LEU . 5.2 mt -70.09 -43.72 70.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -40.08 -38.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -62.25 -68.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -39.47 -41.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 110.293 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.461 HD12 ' CD2' ' A' ' 49' ' ' LEU . 10.2 tp -49.7 -47.98 50.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 87' ' ' LYS . 2.6 tt0 -71.28 -54.74 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.14 -56.26 6.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' ALA . 4.8 m-20 -58.77 -40.69 84.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' ASN . . . -40.2 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.5 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.581 ' CE1' HD11 ' A' ' 71' ' ' ILE . 10.9 t-80 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.06 -18.38 18.65 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.447 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 54.5 m -90.76 -42.6 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 mm -72.06 -47.31 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -59.04 -28.36 66.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 4.0 tpp180 -63.02 -59.67 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.521 ' CD1' ' NH2' ' A' ' 75' ' ' ARG . 12.5 mt -48.5 -38.04 19.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -63.82 -29.56 70.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' ARG . 8.0 tt0 -86.88 -12.97 46.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLU . 2.2 mt -99.4 -54.87 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -45.78 -41.01 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.23 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -64.18 -32.83 74.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' ILE . 3.4 mm-40 -71.73 -62.36 1.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.503 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 15.7 m -53.49 -32.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -76.94 -40.29 47.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.22 -11.1 60.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.503 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.3 pp -118.68 -1.21 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.584 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 7.2 tt0 -59.37 -46.67 98.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.05 -10.3 21.07 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.439 1.757 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -79.97 -15.99 56.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.511 ' CG2' ' CD1' ' A' ' 85' ' ' LEU . 1.5 m -109.43 -34.99 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.47 -45.37 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.2 31.97 8.09 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.533 ' CD2' HD12 ' A' ' 89' ' ' LEU . 9.2 t80 -84.53 154.03 22.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.475 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 36.9 m -146.67 107.79 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.422 ' O ' ' CZ ' ' A' ' 37' ' ' PHE . . . 157.02 139.32 2.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.52 177.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.8 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.53 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 28.8 t80 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.502 0.191 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -65.62 -47.42 75.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.57 -49.35 70.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.41 ' CD1' HD11 ' A' ' 89' ' ' LEU . 73.4 mt -60.64 -64.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -49.46 -54.86 15.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -44.37 -51.42 8.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.0 mt -50.38 -62.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 86' ' ' LEU . 58.7 mt -53.89 -56.26 19.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -48.11 -49.36 32.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.451 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -57.83 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -51.2 -50.57 58.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.2 tm? -53.55 -60.95 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.67 -30.51 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.22 -31.34 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' LEU . 39.7 mt -62.19 -49.29 84.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -69.93 -35.36 74.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -58.98 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 19' ' ' ARG . 18.5 t -40.76 115.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -59.6 165.81 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.5 p -136.67 -48.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.93 43.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.12 64.19 0.83 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -110.42 -21.05 12.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 80.21 -67.48 3.46 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' GLY . 28.4 m-20 -39.14 -36.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.581 HD11 ' CE1' ' A' ' 14' ' ' HIS . 94.9 mt -92.7 -53.17 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.64 -48.2 28.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.255 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -52.77 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.476 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . . . -51.96 -55.85 17.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.521 ' NH2' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.32 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.295 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 75' ' ' ARG . 17.4 ptmt -39.69 -38.44 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -47.98 63.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -66.25 -47.84 72.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.04 -53.74 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -54.03 -49.22 69.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.34 -61.77 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 57' ' ' LEU . 47.1 m -44.84 -61.01 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.69 -50.1 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.22 -52.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.511 ' CD1' ' CG2' ' A' ' 34' ' ' VAL . 1.4 mm? -63.89 -55.1 25.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.416 ' N ' HD11 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -40.32 -49.02 2.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -61.02 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' ASN . 3.0 mm-40 -46.99 -53.0 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.533 HD12 ' CD2' ' A' ' 37' ' ' PHE . 46.8 tp -41.17 -60.54 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 8.0 mt-10 -42.83 -59.56 1.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 93' ' ' ALA . 1.7 mm-40 -60.48 -64.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' GLU . 4.3 m-80 -39.98 -31.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.461 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -51.68 -72.43 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.509 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.2 t-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.99 -18.93 18.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -87.21 -32.53 19.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 mm -75.5 -51.03 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.7 t -56.65 -18.36 11.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.44 ' HG3' ' CD1' ' A' ' 23' ' ' ILE . 2.9 tpp180 -84.45 -59.38 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 110.357 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -49.41 -43.74 44.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -52.62 -30.62 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.59 -29.71 25.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.44 ' CD1' ' HG3' ' A' ' 19' ' ' ARG . 7.6 mt -77.44 -35.24 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -67.92 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 8.6 ptm180 -45.42 -25.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.05 -67.03 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.501 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 14.6 m -51.86 -29.69 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 27' ' ' VAL . 5.7 mtmt -80.21 -41.27 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -71.59 -3.92 24.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.501 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.0 pp -124.27 0.08 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.599 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 8.1 tt0 -62.49 -45.26 89.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.97 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.807 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -87.4 -20.59 26.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -101.59 -36.58 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.75 -40.85 90.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.77 29.76 11.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CD2' HD13 ' A' ' 89' ' ' LEU . 14.6 t80 -83.17 152.18 25.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.66 92.64 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.72 128.43 1.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.469 ' HG ' ' CB ' ' A' ' 94' ' ' SER . 0.3 OUTLIER -60.25 140.62 56.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' LEU . 13.9 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.05 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.42 ' CE1' ' HG ' ' A' ' 89' ' ' LEU . 51.2 t80 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.455 0.169 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -48.32 -61.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' LYS . 3.5 ttm-85 -38.38 -58.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.4 ' CB ' HD23 ' A' ' 89' ' ' LEU . 76.1 mt -47.51 -62.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -53.06 -52.83 57.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -42.16 -43.25 3.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.3 mt -59.89 -63.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 86' ' ' LEU . 29.9 mt -53.56 -57.0 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -51.64 -49.41 62.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -58.96 -56.54 20.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 25.7 mm100 -52.4 -46.78 66.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.66 -54.19 30.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.64 -26.83 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -80.49 -31.34 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 56' ' ' GLN . 57.2 mt -61.82 -42.07 93.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.51 -28.11 66.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -39.74 78.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.01 116.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -75.54 168.48 19.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.1 p -129.97 -55.35 1.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.92 38.04 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.76 65.26 1.83 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -112.25 -32.86 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.82 -63.4 2.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -40.29 -47.69 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.463 HD13 ' CE1' ' A' ' 14' ' ' HIS . 38.5 mt -82.31 -54.08 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -45.45 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -49.17 78.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -63.39 -60.17 3.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -42.58 -70.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -44.2 -50.67 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.484 ' N ' ' CG ' ' A' ' 76' ' ' LYS . 17.2 mmt85 -56.63 -37.16 70.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -74.5 -41.99 59.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.9 -41.98 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -75.26 -44.27 46.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -60.64 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -47.03 -60.61 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.5 -47.81 38.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -66.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 34' ' ' VAL . 4.1 mm? -50.61 -51.51 48.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -41.57 -49.43 4.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -52.85 63.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -52.84 -39.04 62.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.545 HD13 ' CD2' ' A' ' 37' ' ' PHE . 4.1 tp -54.12 -62.56 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -40.34 -56.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -62.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -40.72 -37.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.512 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -44.2 -73.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.469 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.5 t-80 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.01 -20.97 16.32 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.492 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -87.68 -54.28 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.979 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -56.04 -48.49 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 t -60.8 -19.58 59.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.017 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -79.78 -51.42 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 74' ' ' ALA . 9.4 mp -56.17 -40.42 73.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -66.64 -23.89 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.34 -5.97 53.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.41 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 2.5 mt -111.36 -36.09 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -62.35 -49.93 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -55.99 -28.4 57.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.02 -63.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.509 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 13.1 m -55.29 -30.2 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -41.07 28.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -69.16 -13.95 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.2 pp -112.91 4.76 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 25.6 tt0 -66.01 -42.69 53.5 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.96 -0.99 10.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 15.6 mt-30 -92.02 -7.21 49.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -122.94 -37.75 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 25.3 t -37.95 -69.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.38 49.67 0.83 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.499 ' CG ' ' N ' ' A' ' 38' ' ' SER . 29.3 t80 -81.06 164.86 22.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.499 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 91.7 p -146.49 105.73 3.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.451 ' HA3' ' CZ ' ' A' ' 37' ' ' PHE . . . 178.64 147.87 7.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.2 145.23 51.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.522 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 3.6 t80 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.561 0.22 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm -48.34 -60.25 2.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -59.06 -54.4 47.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mp -40.73 -59.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -49.89 -63.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -45.22 -52.66 9.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.5 mt -49.01 -60.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.6 mt -57.26 -56.55 20.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.13 -38.14 4.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -48.8 34.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 14.2 mm100 -59.75 -47.75 84.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.4 tm? -54.73 -57.73 10.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -47.41 -28.19 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.1 -32.38 50.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 57' ' ' LEU . 33.0 mt -62.96 -47.59 92.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.69 -15.47 62.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.47 -36.7 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.481 ' CG1' HD13 ' A' ' 20' ' ' LEU . 24.7 t -60.24 117.3 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -83.84 137.35 33.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -98.38 -32.49 11.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.78 40.48 26.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.98 56.78 20.53 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' ILE . 23.7 mttm -129.89 91.0 3.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 0.738 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -39.41 -58.18 2.1 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 69' ' ' GLY . 1.5 m-20 -38.7 -37.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.376 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.49 ' CD1' ' CE1' ' A' ' 14' ' ' HIS . 97.8 mt -91.77 -56.63 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.32 -45.88 6.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -54.77 43.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.484 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . . . -56.83 -54.58 44.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -50.21 -67.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -49.73 -25.22 2.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.415 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 5.0 mmm180 -81.86 -31.99 31.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -79.17 -22.1 45.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.4 -35.67 76.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -80.27 -37.77 32.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -62.8 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.64 -58.95 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -49.7 -39.66 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.89 -60.33 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.76 -52.01 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 89' ' ' LEU . 1.4 mt -40.96 -60.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mmmt -39.87 -54.72 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.64 -40.49 83.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.522 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 9.5 tp -44.27 -28.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.73 -54.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -58.03 -56.08 26.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 35' ' ' VAL . 1.3 m-80 -52.31 -44.78 65.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 92' ' ' ASN . . . -40.47 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.041 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.573 ' CE1' HD11 ' A' ' 71' ' ' ILE . 18.4 t-80 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD2' ' ND1' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -75.02 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 50.6 m -107.9 -48.06 3.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.2 mm -63.37 -40.22 88.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 t -60.12 -34.9 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -63.98 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.581 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 1.3 mp -44.68 -36.87 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -67.51 -40.38 85.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -77.81 -11.16 59.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.416 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 1.7 mt -100.7 -30.01 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -68.54 -53.15 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 26' ' ' GLU . 3.4 ptm180 -54.02 -22.06 9.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.3 mm-40 -75.4 -56.27 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.506 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 20.3 m -61.36 -29.2 45.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -77.45 -37.76 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.234 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.65 -9.36 58.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.506 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.3 pp -120.15 3.66 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 24.8 tt0 -66.27 -43.25 53.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.01 1.13 8.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.457 ' CB ' HD22 ' A' ' 49' ' ' LEU . 16.2 mt-30 -93.82 -12.01 29.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG2' HD12 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -113.45 -33.26 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.35 -43.31 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.35 22.08 42.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.462 ' CG ' ' N ' ' A' ' 38' ' ' SER . 84.4 t80 -73.75 169.79 16.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.462 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -167.61 103.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.74 -161.52 35.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 mt -100.81 175.38 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.531 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 56.3 t80 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.553 0.216 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -54.72 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.61 -67.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.457 HD22 ' CB ' ' A' ' 33' ' ' GLN . 2.8 mp -41.9 -65.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -40.18 -55.95 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -55.76 -50.04 71.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -52.35 -55.24 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CD2' HG22 ' A' ' 82' ' ' THR . 26.7 mt -57.09 -58.41 8.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -50.19 -44.3 52.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -60.35 -63.76 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 17.1 mm100 -44.44 -51.38 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.2 tm? -54.1 -57.44 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -47.73 -27.54 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 1.6 mm-40 -79.39 -32.25 43.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.445 ' CD1' ' HB1' ' A' ' 78' ' ' ALA . 53.1 mt -61.61 -49.38 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.86 -29.86 68.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -38.57 91.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.581 ' CG2' ' CD1' ' A' ' 20' ' ' LEU . 3.5 t -59.58 111.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -79.47 115.6 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.431 HG23 ' NH2' ' A' ' 75' ' ' ARG . 22.9 p -84.68 -14.89 47.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 39.1 45.52 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.59 59.21 1.64 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -103.82 -20.93 13.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.38 -50.06 4.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -49.51 -57.27 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' A' ' 14' ' ' HIS . 12.7 mt -75.11 -54.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' ILE . 7.7 mt-30 -76.05 -58.13 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -62.96 -46.05 89.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.46 ' NE ' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -50.46 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -27.57 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -76.49 -34.12 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -81.2 -33.5 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.63 85.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.53 -41.51 75.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.453 HG22 ' CD2' ' A' ' 53' ' ' LEU . 52.3 m -46.62 -62.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -48.48 -47.1 38.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.34 -60.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -56.52 -48.36 77.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.68 -62.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -43.67 -58.35 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -47.3 -45.6 24.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.531 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 8.8 tp -41.89 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -38.56 -61.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.14 -64.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -40.17 -51.72 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.44 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.468 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 12.3 t-80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.99 -15.43 20.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.41 ' HB2' ' ND1' ' A' ' 14' ' ' HIS . 48.0 m -91.59 -34.8 14.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 71' ' ' ILE . 16.5 mm -67.48 -55.32 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.8 t -48.54 -44.57 36.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -53.79 -59.15 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.7 mt -49.72 -47.06 50.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.25 -21.67 65.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.2 tt0 -95.05 -16.51 22.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.431 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 4.4 mt -91.69 -38.05 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.31 -46.94 86.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -58.64 -29.75 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.94 -59.89 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.498 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 12.7 m -59.95 -32.07 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -43.51 65.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.7 -20.92 65.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.0 OUTLIER -109.11 6.22 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.679 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 22.8 tt0 -64.45 -40.45 50.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.03 -30.34 7.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.492 ' CB ' HD23 ' A' ' 49' ' ' LEU . 23.5 mt-30 -62.66 -21.56 65.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.47 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.4 t -93.23 -48.95 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.57 -38.87 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.67 19.02 56.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.554 ' CD2' HD13 ' A' ' 89' ' ' LEU . 15.4 t80 -68.06 174.12 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.99 89.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.464 ' O ' ' CA ' ' A' ' 93' ' ' ALA . . . 170.74 172.25 36.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.76 178.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.79 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.6 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CE2' ' OE1' ' A' ' 50' ' ' GLU . 66.0 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.529 0.204 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -70.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' LEU . 3.5 tpt85 -38.53 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.492 HD23 ' CB ' ' A' ' 33' ' ' GLN . 5.8 mp -38.9 -61.29 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.427 ' OE1' ' CE2' ' A' ' 46' ' ' TYR . 3.4 tt0 -47.31 -58.84 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -43.69 -47.97 7.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 55' ' ' LYS . 14.8 mt -54.3 -71.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.471 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . 39.6 mt -44.28 -55.67 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -50.59 -34.5 26.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -77.07 -46.65 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 28.4 mm100 -61.5 -46.09 91.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.1 tm? -53.97 -57.22 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -47.77 -27.67 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 0.9 OUTLIER -79.11 -32.07 44.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.431 ' CG2' ' HG2' ' A' ' 75' ' ' ARG . 26.0 mt -62.5 -48.12 89.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.76 -31.53 72.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -35.7 81.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.66 114.69 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -85.51 130.95 34.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 67' ' ' GLY . 81.3 p -113.59 85.67 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.68 63.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' THR . . . 37.42 63.81 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -112.69 -31.51 6.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.734 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.44 -63.85 2.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -41.71 -42.57 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 17' ' ' ILE . 29.4 mt -86.43 -52.3 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.06 -43.94 9.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -59.72 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.86 -67.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.431 ' HG2' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -40.97 -63.23 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -40.37 -59.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -56.99 -46.71 82.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.41 -49.86 68.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' CA ' HG22 ' A' ' 60' ' ' ILE . . . -49.33 -44.71 44.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -72.16 -44.82 62.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.74 -62.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.82 -61.52 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.89 -37.28 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -44.44 83.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -73.47 -44.03 58.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.471 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 0.8 OUTLIER -54.62 -42.16 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -33.47 64.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 1.3 mm-40 -68.59 -17.55 64.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 37' ' ' PHE . 45.1 tp -86.69 -59.94 2.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 91' ' ' GLN . 8.5 pt-20 -46.3 -36.76 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 1.4 mt-30 -76.03 -61.08 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 27.9 m-20 -52.02 -28.17 16.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.464 ' CA ' ' O ' ' A' ' 39' ' ' GLY . . . -46.05 -72.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.0 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.493 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.7 t-80 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.1 Cg_endo -75.01 -32.69 5.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.768 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 m -71.81 -34.71 69.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.461 ' CD1' HG12 ' A' ' 71' ' ' ILE . 18.2 mm -68.04 -59.15 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.9 t -51.33 -27.14 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -73.54 -68.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -53.64 -25.43 17.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -72.57 -29.94 63.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.29 -25.41 54.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.405 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 1.4 mt -79.58 -24.67 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -68.03 -52.57 34.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -28.23 46.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.65 -62.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.479 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 15.9 m -54.27 -28.15 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -78.64 -39.45 37.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.88 -11.62 60.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.479 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.6 pp -115.63 -3.72 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 13.3 tt0 -55.0 -44.41 99.59 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.06 -39.27 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -53.94 -20.74 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.5 t -94.43 -50.9 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.1 -38.05 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.62 26.96 22.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' A' ' 38' ' ' SER . 36.3 t80 -75.7 162.99 27.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -150.55 102.73 3.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.411 ' O ' ' CA ' ' A' ' 93' ' ' ALA . . . 172.89 158.85 18.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.408 ' N ' HD22 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -84.42 143.47 29.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.253 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.534 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 29.6 t80 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.536 0.208 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -47.01 -45.63 21.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -52.43 -66.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 89' ' ' LEU . 18.1 mt -45.19 -62.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -50.02 -37.6 33.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 7.6 mmt180 -66.36 -35.97 81.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.0 mt -61.24 -65.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.494 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . 3.9 mm? -45.62 -62.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -48.85 -53.0 21.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 54' ' ' THR . 1.1 tmtt? -54.54 -53.86 48.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -57.77 -47.4 82.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -50.59 -54.85 19.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.421 ' N ' HD13 ' A' ' 57' ' ' LEU . 4.1 t80 -51.1 -26.2 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 3.6 mm-40 -81.59 -29.95 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.446 ' CG2' ' HG2' ' A' ' 75' ' ' ARG . 7.3 mt -66.22 -50.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.15 -27.68 68.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -35.07 78.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -69.19 108.39 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -62.19 172.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.7 p -131.94 -50.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 65.42 51.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.63 37.64 61.62 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.536 1.148 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -111.0 90.42 3.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.75 -40.82 12.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -50.82 -22.26 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.461 HG12 ' CD1' ' A' ' 17' ' ' ILE . 80.8 mt -103.42 -50.03 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -39.64 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -60.77 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -50.33 -69.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.446 ' HG2' ' CG2' ' A' ' 60' ' ' ILE . 0.2 OUTLIER -38.8 -61.91 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.81 -63.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -49.14 -31.5 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -77.27 -37.2 53.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -60.63 -37.42 81.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -75.91 -42.38 49.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -49.26 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.472 ' CA ' HD11 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -59.91 -65.5 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.92 -51.03 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -49.99 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 3.1 mm? -64.13 -45.25 89.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.494 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -43.17 -58.04 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 88' ' ' GLU . 7.1 mmmt -52.72 -55.97 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 87' ' ' LYS . 1.9 mm-40 -38.08 -47.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.534 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 33.4 tp -43.84 -59.65 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -45.51 -44.25 12.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -66.7 -65.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -48.16 -29.73 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.411 ' CA ' ' O ' ' A' ' 39' ' ' GLY . . . -46.06 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.971 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.494 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.2 t-80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.494 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.03 -23.02 14.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.5 m -85.93 -16.91 36.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 mm -89.84 -55.39 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.9 t -44.76 -34.31 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.464 ' CZ ' HG21 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -61.66 -57.68 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 75' ' ' ARG . 9.4 mt -56.62 -20.9 23.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -86.25 -16.05 38.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -99.22 -16.04 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.2 mt -97.49 -43.4 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 24.1 mt-30 -58.38 -42.45 87.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -63.74 -27.91 69.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.36 -61.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.499 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 18.2 m -53.76 -29.34 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 24' ' ' GLN . 1.4 mmtp -75.92 -45.17 36.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.54 -10.35 50.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.1 pp -120.82 -2.05 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 18.3 tt0 -55.27 -44.53 99.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.5 Cg_endo -75.02 -20.03 17.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -70.3 -19.27 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.352 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.6 t -100.98 -44.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.6 -38.31 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.17 26.51 24.02 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 17.4 t80 -79.14 155.56 28.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.81 100.42 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.28 144.87 4.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -48.08 171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.559 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 19.4 m . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.563 ' CE1' HD21 ' A' ' 89' ' ' LEU . 72.2 t80 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.499 0.19 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -48.12 -53.47 16.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -51.89 -61.09 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.4 mt -44.65 -64.49 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -51.26 -44.79 61.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -52.34 -41.5 63.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.5 mt -60.82 -59.65 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 30' ' ' ILE . 97.2 mt -56.08 -56.19 23.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.9 -44.53 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 4.3 tptm -64.79 -53.14 51.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 18.6 mm100 -55.6 -49.15 73.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.453 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 1.4 tm? -53.01 -54.1 40.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.3 -26.75 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 0.6 OUTLIER -79.83 -30.31 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.436 ' O ' ' CD ' ' A' ' 75' ' ' ARG . 55.9 mt -65.04 -44.92 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -72.96 -4.69 33.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.63 -56.49 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.526 ' CG1' ' HD2' ' A' ' 75' ' ' ARG . 1.6 p -57.08 129.65 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -84.62 175.8 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -130.72 -44.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 79.16 45.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.35 63.64 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -112.32 -32.96 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 98.89 -65.05 0.71 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.56 1.163 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' GLY . 36.7 m-20 -39.82 -52.11 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.448 HD13 ' CE1' ' A' ' 14' ' ' HIS . 35.3 mt -75.19 -55.89 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.488 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -42.5 -55.05 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 0.7 OUTLIER -53.2 -41.08 64.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HB1' ' CD1' ' A' ' 20' ' ' LEU . . . -67.1 -66.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.526 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -39.01 -57.86 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.488 ' CE ' ' OE1' ' A' ' 72' ' ' GLN . 14.1 ptpt -57.61 -42.29 82.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 17.6 mmt180 -62.49 -45.21 94.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.06 97.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -55.76 -37.01 67.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.13 -37.94 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.92 -58.92 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.453 ' CG2' ' HB2' ' A' ' 57' ' ' LEU . 1.2 m -55.07 -42.85 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 50.0 mm-40 -66.39 -21.12 66.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -49.72 52.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 88' ' ' GLU . 3.5 mt -58.95 -51.32 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.413 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -43.89 -40.24 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -64.89 -44.4 89.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -59.62 -46.82 87.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.563 HD21 ' CE1' ' A' ' 46' ' ' TYR . 18.5 tp -45.63 -63.84 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -39.07 -61.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' ASN . 18.0 mt-30 -58.99 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' GLN . 1.5 m-80 -39.93 -43.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.501 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -39.93 -76.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.482 ' CE1' HD12 ' A' ' 71' ' ' ILE . 10.2 t-80 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -74.99 -19.17 18.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.9 m -88.16 -22.82 23.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.41 ' CD1' HG12 ' A' ' 71' ' ' ILE . 21.1 mm -86.65 -47.56 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.5 t -55.71 -22.14 22.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 23' ' ' ILE . 2.1 tpp180 -80.32 -48.19 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 75' ' ' ARG . 7.0 mt -59.77 -42.64 93.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -56.48 -33.6 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -35.19 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 19' ' ' ARG . 3.0 mt -71.99 -37.75 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' GLU . 8.6 mt-30 -64.84 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 26' ' ' GLU . 7.5 ptp180 -43.44 -27.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.6 mm-40 -73.21 -70.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.487 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 4.2 m -51.64 -28.37 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -43.2 34.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.18 -16.82 63.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.487 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.4 pp -111.17 11.61 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.648 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 26.7 tt0 -72.85 -42.69 7.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.1 Cg_endo -75.0 1.18 8.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.779 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.468 ' CB ' HD21 ' A' ' 49' ' ' LEU . 18.6 mt-30 -96.68 -6.78 35.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.465 ' CB ' HD12 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -119.35 -35.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.99 -44.93 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.68 21.17 46.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.123 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.43 ' CD2' HD11 ' A' ' 89' ' ' LEU . 92.8 t80 -76.62 167.09 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.428 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -167.87 101.66 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.09 173.9 37.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.055 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 mt -73.26 170.62 14.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.417 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 11.3 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.417 ' CD2' ' HA ' ' A' ' 41' ' ' SER . 46.7 t80 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.488 0.185 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 51' ' ' ARG . 7.5 mmmm -54.59 -37.71 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -59.19 -58.83 6.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 33' ' ' GLN . 5.3 mp -52.71 -60.93 2.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.07 -36.15 28.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 4.0 mmt85 -69.47 -29.75 67.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' LEU . 18.3 mt -70.71 -69.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . 2.9 mm? -38.76 -65.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.26 -45.04 8.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -62.92 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 8.5 mm100 -49.5 -43.23 45.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.413 HD13 ' N ' ' A' ' 58' ' ' PHE . 1.4 tm? -51.48 -54.18 29.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.413 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.3 t80 -51.0 -26.16 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 0.6 OUTLIER -81.67 -31.89 32.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.2 mt -62.74 -48.25 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -61.73 -31.33 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -53.1 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.0 t -40.28 123.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -89.63 135.62 33.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' GLY . 41.3 p -121.22 84.69 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.81 62.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' THR . . . 36.86 67.98 0.38 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -116.77 -39.62 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.82 -63.21 0.67 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -41.17 -37.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.482 HD12 ' CE1' ' A' ' 14' ' ' HIS . 46.8 mt -92.02 -51.78 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -42.99 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -56.36 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.365 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -55.32 -58.56 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -45.83 -68.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 5.5 pttt -48.08 -39.21 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 8.8 mmm180 -67.15 -30.51 70.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -84.19 -35.24 23.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.53 -20.83 63.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 84' ' ' ARG . 91.7 mt-30 -92.04 -49.21 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.09 -62.61 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -45.45 -59.68 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -60.82 -21.57 63.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -70.76 -40.03 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' GLU . 13.1 mt -77.56 -47.83 18.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 1.2 mt -39.44 -49.24 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -67.95 -43.1 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.6 mm-40 -51.67 -47.11 63.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.465 HD12 ' CB ' ' A' ' 34' ' ' VAL . 12.4 tp -52.56 -61.61 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -53.46 -32.4 49.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -74.99 -28.47 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -108.48 21.12 17.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.39 -83.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.7 t-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.0 -23.53 13.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.463 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 51.2 m -81.68 -39.44 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mm -68.83 -48.38 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.5 t -51.26 -24.81 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -82.55 -44.27 16.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.495 HD11 ' CG2' ' A' ' 63' ' ' VAL . 11.1 mp -59.84 -42.47 93.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -60.08 -23.21 63.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.11 -14.56 30.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mt -94.46 -41.95 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -60.87 -44.64 96.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -61.44 -30.75 70.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.259 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.02 -55.72 13.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.496 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 17.1 m -61.66 -27.07 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -40.76 28.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.76 -12.53 61.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.4 pp -114.56 -6.86 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.59 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 8.5 tt0 -51.01 -46.27 88.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.01 -18.23 18.86 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.788 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -74.89 -16.8 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 m -109.54 -34.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.415 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 55.9 t -62.53 -51.1 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.32 34.86 5.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.556 ' CD2' HD12 ' A' ' 89' ' ' LEU . 24.2 t80 -81.96 159.39 23.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.79 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.404 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -152.64 102.58 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.35 132.82 1.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.418 HD21 ' CB ' ' A' ' 94' ' ' SER . 2.4 mm? -59.95 145.68 45.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.574 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 17.6 t80 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.459 0.171 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -48.89 41.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -51.08 69.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.531 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 53.1 mt -49.59 -51.21 38.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -67.32 -55.52 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 mmt180 -40.63 -38.88 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.1 mt -56.83 -69.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.458 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . 3.8 mm? -41.68 -64.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -49.74 -52.36 32.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.442 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -53.77 -44.7 70.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.7 mm100 -68.11 -49.25 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.7 tm? -51.4 -56.83 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -47.5 -28.75 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 4.6 mm-40 -78.9 -30.93 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 78' ' ' ALA . 37.5 mt -65.7 -51.94 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.65 -24.25 66.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.33 -30.29 68.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.495 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.2 t -64.13 107.19 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.37 118.95 8.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.471 HG21 ' CZ ' ' A' ' 75' ' ' ARG . 69.7 p -87.38 -35.53 18.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 54.32 25.5 5.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.86 38.47 41.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -103.49 103.77 13.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.36 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 71' ' ' ILE . . . -45.79 -50.2 11.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -45.42 -26.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' ARG . 44.1 mt -101.95 -55.09 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.58 -27.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -54.29 5.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.417 ' HB1' ' CD2' ' A' ' 20' ' ' LEU . . . -65.4 -56.37 12.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.471 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.0 OUTLIER -37.57 -71.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -49.74 -47.73 50.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.25 -53.44 35.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.47 ' HB2' ' CD1' ' A' ' 60' ' ' ILE . . . -60.79 -48.21 82.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.58 -35.98 9.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 84' ' ' ARG . 79.1 mt-30 -71.04 -52.87 17.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER -44.25 -63.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.466 ' OG1' ' CG1' ' A' ' 27' ' ' VAL . 0.8 OUTLIER -47.53 -61.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -56.69 -18.59 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 1.6 ttt85 -71.65 -41.3 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 86' ' ' LEU . 5.2 mt -76.51 -48.67 18.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.458 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 1.2 mt -37.93 -42.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -58.76 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -47.94 -48.5 32.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.574 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 33.0 tp -45.78 -57.02 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 2.7 mt-10 -47.78 -59.96 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.04 -62.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -41.33 -33.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 90' ' ' GLU . . . -49.07 -73.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.418 ' CB ' HD21 ' A' ' 40' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.065 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.538 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 8.1 t-80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.0 -24.25 13.0 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.468 ' HB3' ' ND1' ' A' ' 14' ' ' HIS . 28.8 t -82.0 -7.11 59.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.481 ' CD1' HG12 ' A' ' 71' ' ' ILE . 6.1 mm -106.46 -35.76 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 t -69.54 -30.97 68.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 0.8 OUTLIER -60.53 -56.83 16.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.519 ' CD2' ' NH2' ' A' ' 75' ' ' ARG . 4.2 mp -52.38 -43.54 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -50.09 -25.86 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.35 -25.13 19.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.1 mt -83.4 -31.0 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -67.14 -50.58 60.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -24.76 39.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.52 -61.59 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.495 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 18.7 m -57.59 -26.17 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 1.7 mmtp -79.16 -41.4 28.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -8.71 41.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.5 pp -119.83 6.47 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.657 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 34.9 tt0 -68.26 -41.77 26.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -74.96 -1.57 11.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -89.28 -58.96 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.495 ' CG2' HD12 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -62.56 -38.53 81.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 89.4 t -62.11 -48.26 89.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.64 33.33 6.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.117 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.53 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 11.2 t80 -84.06 152.84 24.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.432 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -147.4 101.74 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.43 -140.29 3.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.2 mt -124.75 -178.78 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.431 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 5.4 t80 . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.46 0.171 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -42.23 -49.9 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -57.64 10.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.9 mt -43.3 -56.14 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -58.03 -52.63 64.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.99 -46.28 11.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.8 mt -56.55 -64.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.4 mt -51.6 -56.8 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -48.98 -42.98 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -49.89 66.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -59.42 -46.12 89.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.5 tm? -57.4 -58.62 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -46.9 -28.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.74 -32.55 57.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' LEU . 78.1 mt -60.36 -45.13 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -70.29 -33.93 72.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -58.99 -61.2 2.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.94 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 20' ' ' LEU . 41.8 t -43.74 108.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.414 ' O ' ' OG ' ' A' ' 16' ' ' SER . 33.4 t0 -59.85 159.85 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.451 ' CG2' ' HD2' ' A' ' 75' ' ' ARG . 27.6 p -115.86 -33.86 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 68.64 20.92 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.46 56.81 15.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' ILE . 2.5 mttm -132.87 102.14 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -39.02 -61.74 1.34 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' GLY . 7.2 m-20 -37.42 -35.4 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.481 HG12 ' CD1' ' A' ' 17' ' ' ILE . 7.7 mt -92.49 -59.71 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.52 -44.14 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -53.1 -57.3 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -40.26 -65.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.519 ' NH2' ' CD2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -37.48 -70.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 75' ' ' ARG . 2.8 tttt -39.67 -58.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -53.28 -44.34 68.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.5 -49.27 77.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.24 -56.5 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -51.76 -25.54 7.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.22 -52.61 7.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -65.43 -42.35 92.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -68.88 -17.58 64.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -73.88 -48.64 29.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 34' ' ' VAL . 5.0 mt -67.11 -51.38 54.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -40.1 -38.52 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -63.79 -53.62 48.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' LEU . 1.4 mm-40 -57.53 -27.35 62.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.495 HD12 ' CG2' ' A' ' 34' ' ' VAL . 6.2 tp -56.19 -51.57 67.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.14 -55.8 30.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -55.6 -66.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' GLN . 18.8 m-80 -40.28 -43.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.53 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -41.31 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.536 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 8.9 t-80 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.01 -20.3 16.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.457 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -84.62 -42.07 15.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.9 mm -65.14 -42.86 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.9 t -62.42 -20.16 64.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.967 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.475 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -83.62 -43.43 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.475 HD11 ' CG1' ' A' ' 63' ' ' VAL . 10.3 mp -62.08 -42.59 99.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -55.44 -25.55 36.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.25 -16.39 24.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 19' ' ' ARG . 86.1 mt -92.24 -43.79 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -62.42 -67.13 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 15.8 ptt180 -39.46 -33.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 29' ' ' ALA . 4.0 mm-40 -67.74 -74.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.493 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 4.1 m -47.34 -32.85 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -75.89 -38.88 57.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -69.49 -6.64 31.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.6 pp -121.5 -2.14 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.55 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.5 tt0 -55.77 -48.72 95.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.06 -9.1 20.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.449 1.763 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -21.84 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' CG2' HD22 ' A' ' 85' ' ' LEU . 1.3 m -100.08 -43.01 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.418 ' HA ' ' ND2' ' A' ' 92' ' ' ASN . 87.7 t -64.25 -35.15 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.83 11.87 67.7 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.84 164.38 17.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.63 87.75 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.37 -135.16 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mt -136.05 -176.3 4.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.046 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.57 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 60.0 t80 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.486 0.184 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -58.45 -60.81 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -41.34 -69.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.401 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 12.9 mt -41.01 -60.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -50.19 -48.16 54.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.404 ' O ' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -48.64 -53.61 17.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.277 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.414 ' CG2' HG12 ' A' ' 30' ' ' ILE . 4.0 mt -43.2 -67.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . 2.7 mm? -47.98 -62.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -44.17 -54.76 5.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.408 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 54' ' ' THR . 2.0 mptt -54.94 -66.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.0 mm-40 -46.3 -48.28 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 1.2 tm? -48.5 -50.07 33.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -54.99 -25.18 28.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.475 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -83.25 -31.44 26.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.5 mt -63.09 -44.62 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -67.53 -26.14 66.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.25 -37.73 71.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.475 ' CG1' HD11 ' A' ' 20' ' ' LEU . 57.2 t -50.05 125.63 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -89.56 111.46 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.6 p -81.16 -48.47 12.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.15 32.65 15.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.25 63.07 3.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -112.57 -11.82 13.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 73.88 -62.92 2.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' GLY . 69.8 m-20 -39.97 -52.46 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.529 ' CD1' ' CE1' ' A' ' 14' ' ' HIS . 56.2 mt -77.34 -54.19 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -41.69 -53.51 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -51.82 -42.21 62.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -72.91 -60.44 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -53.69 15.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -60.96 -27.05 67.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -35.35 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.49 -35.73 46.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.44 -15.82 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 84' ' ' ARG . 49.6 mt-30 -94.49 -51.29 4.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.89 -60.48 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -44.93 -61.37 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -58.21 -30.11 66.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 80' ' ' GLN . 4.7 ttt-85 -61.55 -43.91 98.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.447 ' C ' ' N ' ' A' ' 87' ' ' LYS . 5.8 mt -74.79 -50.36 17.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.45 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 1.3 mt -39.48 -30.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' A' ' 85' ' ' LEU . 2.5 mmtt -80.51 -52.2 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 3.7 mm-40 -52.65 -41.97 64.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.57 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 13.8 tp -48.73 -33.58 10.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -79.27 -64.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.44 -31.76 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 35' ' ' VAL . 21.4 m-80 -81.9 -40.57 22.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -41.07 -79.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.8 t-80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.0 -14.68 21.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.438 1.757 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.408 ' HB2' ' ND1' ' A' ' 14' ' ' HIS . 56.5 m -89.17 -32.27 17.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.949 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.2 mm -72.16 -52.99 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.6 t -51.24 -41.05 60.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -63.41 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.5 mt -51.98 -32.51 33.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -73.71 -24.35 59.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -89.48 -19.92 24.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.6 mt -89.88 -35.07 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -64.4 -44.95 89.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -61.96 -25.7 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.323 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.89 -68.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.489 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 13.1 m -47.62 -36.32 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' N ' HG21 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -71.79 -40.62 69.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.9 -16.53 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.0 OUTLIER -112.68 2.43 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.585 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 9.8 tt0 -63.16 -46.39 86.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -75.0 -8.22 19.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -33.27 59.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.518 ' CG2' ' CD1' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -93.39 -34.22 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 46.7 t -65.02 -35.94 76.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.31 25.74 25.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CD2' HD13 ' A' ' 89' ' ' LEU . 66.0 t80 -85.67 130.21 34.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.25 93.63 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.68 -148.75 5.28 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mt -126.28 133.52 51.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.8 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.491 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.576 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 2.7 t80 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.499 0.19 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -41.39 -59.22 1.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' LYS . 5.0 ttt180 -38.76 -52.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 37' ' ' PHE . 8.5 mt -59.96 -64.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -42.92 -45.74 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.17 -52.79 64.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.6 mt -51.43 -36.45 17.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.435 ' CD2' HD11 ' A' ' 30' ' ' ILE . 16.9 mt -77.19 -49.74 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -37.81 73.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -55.19 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -65.78 -22.49 66.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.535 ' HA ' HG13 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -75.65 -63.39 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.96 -22.25 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 57' ' ' LEU . 5.2 mm-40 -77.62 -31.92 53.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.535 HG13 ' HA ' ' A' ' 57' ' ' LEU . 2.5 mt -61.14 -51.2 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.94 -25.91 67.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.09 -42.67 69.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.1 t -54.48 114.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.76 152.07 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.4 p -113.51 -25.44 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.433 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 43.45 32.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.83 57.32 9.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' GLY . 25.7 mttm -129.07 90.38 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' LYS . . . -36.42 -56.3 1.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -40.0 -49.18 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' LYS . 96.6 mt -78.98 -57.66 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.92 -54.35 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -52.42 -62.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -48.65 -53.75 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -69.38 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -52.49 -27.02 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 7.1 mtt-85 -75.14 -30.11 60.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -82.26 -35.65 27.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -61.66 -28.4 69.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -78.85 -44.17 23.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.45 -47.52 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -59.12 -36.27 74.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 11.1 mm-40 -73.27 -44.94 58.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -59.75 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.518 ' CD1' ' CG2' ' A' ' 34' ' ' VAL . 3.3 mm? -50.23 -46.05 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -52.29 -31.55 33.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -81.9 -52.36 7.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -45.06 -38.7 5.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.576 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 27.8 tp -60.81 -63.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.21 -29.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 89' ' ' LEU . 22.1 tp60 -89.93 -57.93 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 35' ' ' VAL . 37.5 m-80 -49.79 -26.62 4.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.3 -78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.88 99.59 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -85.95 98.81 11.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.39 72.7 0.3 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -174.21 83.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.952 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -163.35 144.12 9.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.31 177.04 36.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.31 105.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.32 109.79 4.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.41 142.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.91 80.78 1.45 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 171.04 120.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -94.45 103.8 15.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.454 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 12.8 t-80 -43.44 141.33 2.03 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.158 . . . . 0.0 109.576 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.454 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.03 -5.63 17.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.403 ' HB2' ' ND1' ' A' ' 14' ' ' HIS . 50.1 m -99.06 -34.2 10.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.9 mm -68.57 -55.04 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -53.06 -43.26 66.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -56.35 -62.41 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' GLN . 32.5 mt -50.53 -36.57 34.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -71.41 -24.5 62.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.5 mt-10 -92.66 -15.59 26.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 2.7 mt -101.34 -30.26 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' LEU . 2.8 mt-30 -68.75 -52.78 26.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -54.89 -21.52 11.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -76.5 -57.71 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.507 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 17.6 m -60.37 -31.19 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -41.45 34.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -70.25 -13.07 62.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.507 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.6 pp -115.19 -5.84 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 12.8 tt0 -52.35 -45.52 94.84 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.0 -31.95 5.78 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -57.46 -24.21 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.6 t -94.26 -49.85 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.1 t -59.4 -33.74 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.19 19.01 55.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.562 ' CD1' HD12 ' A' ' 49' ' ' LEU . 41.8 t80 -73.51 168.83 18.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 0.772 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.448 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -165.28 83.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.26 143.17 7.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 94' ' ' SER . 1.1 mm? -58.22 164.33 2.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 21.1 p -61.99 96.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 41' ' ' SER . 1.4 m-20 80.14 76.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.76 -59.4 1.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -175.39 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -96.35 -17.01 20.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 46' ' ' TYR . 7.0 t80 -63.57 -29.3 70.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -64.42 -59.18 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -43.11 -62.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 37' ' ' PHE . 14.3 mt -43.69 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -48.89 -53.4 19.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -48.98 12.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.1 mt -51.35 -64.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CD2' HD11 ' A' ' 30' ' ' ILE . 41.4 mt -51.42 -52.08 49.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -53.59 -38.72 64.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.432 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -52.52 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.4 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 25.7 mm100 -55.79 -47.31 77.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.252 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 1.3 tm? -55.08 -57.56 11.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -47.34 -28.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -78.52 -32.21 47.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 57' ' ' LEU . 47.6 mt -62.24 -49.08 85.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.52 -25.13 67.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.91 -24.77 55.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 t -71.04 115.01 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -78.5 151.5 32.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.1 p -110.23 -50.93 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.22 20.7 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.59 53.88 4.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 71' ' ' ILE . 32.4 mttm -126.64 92.23 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -37.14 -58.21 1.28 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' GLY . 6.3 m-20 -39.02 -44.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 68' ' ' LYS . 96.0 mt -84.77 -57.87 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.23 -49.39 2.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -61.29 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -49.12 -61.43 2.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -42.54 -69.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -50.89 -35.75 34.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -69.59 -23.83 63.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -93.3 -28.1 16.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.3 83.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -83.58 -39.83 19.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -54.6 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' A' ' 57' ' ' LEU . 94.6 m -51.08 -61.05 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.368 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -49.65 -44.92 47.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -62.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 3.1 mm? -51.51 -52.13 49.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.4 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -42.28 -50.89 4.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -56.22 -51.97 66.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' LEU . 3.8 mm-40 -46.19 -55.0 7.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' GLU . 31.6 tp -39.5 -64.65 0.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' LEU . 1.5 mt-10 -38.41 -41.97 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.259 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.96 -60.77 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -44.56 -35.0 2.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.01 -75.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.466 ' CB ' HD23 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -179.54 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.997 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.56 159.78 40.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.91 41.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.559 1.821 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.7 t -58.11 -58.29 9.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.8 p -147.0 -53.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 m -159.5 149.98 19.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 t 60.81 85.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.89 92.11 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m -141.64 136.5 31.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.45 103.91 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.53 101.12 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.18 133.03 48.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -152.84 100.48 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.8 118.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.36 122.27 1.6 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -67.67 154.96 40.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' HIS . 1.7 tt0 -101.2 87.37 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.242 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.564 ' CE1' HD12 ' A' ' 71' ' ' ILE . 9.5 t-80 -39.61 143.94 0.52 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.528 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -75.02 -15.37 20.73 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -87.86 -41.53 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.049 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -66.49 -49.18 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.3 t -54.49 -21.82 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.442 ' HG3' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -84.87 -59.01 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.495 HD12 ' CG1' ' A' ' 63' ' ' VAL . 11.0 mp -49.08 -49.51 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -46.32 -33.54 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -32.19 28.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' A' ' 19' ' ' ARG . 12.0 mt -74.0 -40.55 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -59.75 -60.78 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -48.03 -30.83 4.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ALA . 4.7 mm-40 -71.76 -72.6 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.508 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 9.7 m -45.78 -29.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -79.64 -41.25 27.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' GLU . . . -69.34 -13.81 62.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.508 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.9 pp -113.3 -3.16 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.629 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 21.1 tt0 -55.88 -44.19 99.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.01 -27.85 9.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.405 ' NE2' HG22 ' A' ' 30' ' ' ILE . 22.7 mt-30 -62.41 -21.21 65.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' HD13 ' A' ' 89' ' ' LEU . 54.0 t -97.26 -47.59 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.6 t -61.82 -38.1 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.34 26.62 23.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.543 ' CD1' HD12 ' A' ' 49' ' ' LEU . 37.6 t80 -77.47 173.78 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 52.9 p -174.76 79.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.45 -135.28 2.45 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' CD2' ' A' ' 46' ' ' TYR . 8.6 mt -123.28 157.29 33.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 0.774 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.601 ' O ' ' CE2' ' A' ' 46' ' ' TYR . 5.0 p -42.64 -51.02 5.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -136.19 77.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.14 -177.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? 65.71 -110.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -113.8 -11.65 12.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 41' ' ' SER . 7.8 t80 -42.69 -55.08 3.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' TYR . 40.5 mmtt -39.07 -63.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.39 -57.63 5.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD12 ' CD1' ' A' ' 37' ' ' PHE . 10.7 mt -50.76 -64.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -45.45 -52.43 10.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' NH1' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -50.34 -49.59 53.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 49' ' ' LEU . 12.5 mt -49.12 -57.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' CD2' HG22 ' A' ' 82' ' ' THR . 26.7 mt -59.78 -52.65 64.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -49.87 -51.44 40.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.42 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.428 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.95 -62.26 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 11.0 mm100 -48.19 -47.35 35.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.3 tm? -54.71 -56.67 16.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -47.8 -27.6 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.1 -31.38 44.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' LEU . 65.3 mt -62.69 -42.59 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.7 -24.84 59.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -28.23 58.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.495 ' CG1' HD12 ' A' ' 20' ' ' LEU . 37.3 t -72.7 116.42 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.27 137.87 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.1 p -93.49 -45.62 7.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 110.359 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.98 41.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.9 60.12 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -110.23 -27.37 9.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.99 -61.87 2.23 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -41.12 -57.91 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 14' ' ' HIS . 12.2 mt -72.2 -54.41 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -44.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -66.96 -57.0 7.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -55.38 -68.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.434 ' HG2' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -38.33 -64.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.24 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -40.26 -59.33 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -54.47 -48.99 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.43 -51.8 61.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.03 -39.47 55.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -74.99 -44.51 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -51.99 67.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.434 HG22 ' CD2' ' A' ' 53' ' ' LEU . 99.5 m -54.01 -55.66 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.403 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.75 -55.11 33.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.95 -53.79 1.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.406 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 2.8 mm? -57.89 -53.66 55.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.411 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -43.57 -47.02 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -54.61 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -40.8 -45.11 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.533 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 7.6 tp -47.85 -56.07 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -42.11 -58.76 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -65.55 -60.87 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -40.38 -42.39 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' A' ' 41' ' ' SER . . . -39.85 -78.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 95' ' ' GLY . 1.4 t -179.47 -39.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 94' ' ' SER . . . 42.75 -166.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.85 32.98 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.73 135.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.4 p -164.9 88.17 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p 46.79 92.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 110.028 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.02 123.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.939 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.98 70.27 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.5 135.25 9.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 p -179.84 143.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.54 83.11 1.07 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.66 161.5 34.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -174.25 150.84 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.36 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.35 60.64 6.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -179.94 111.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 14' ' ' HIS . 7.6 pt20 -173.85 45.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.556 ' CE1' HD12 ' A' ' 71' ' ' ILE . 8.3 t-80 61.44 139.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.579 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -26.97 10.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.3 m -78.07 -43.04 30.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 13' ' ' GLN . 17.2 mm -65.14 -51.54 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.2 t -58.81 -20.14 47.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.7 -52.86 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 75' ' ' ARG . 5.9 mt -58.23 -40.29 81.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -56.31 -33.99 66.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -78.16 -38.38 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.263 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mt -68.08 -41.28 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -48.15 -25.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 5.0 mm-40 -73.75 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.44 ' O ' ' CG1' ' A' ' 30' ' ' ILE . 9.7 m -59.19 -38.8 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' N ' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -54.42 -34.48 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.77 -2.34 23.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.478 ' CD1' HD12 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -111.02 -14.22 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.609 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 19.6 tt0 -53.85 -44.68 98.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.97 -27.85 9.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.46 ' CB ' HD23 ' A' ' 49' ' ' LEU . 14.4 mt-30 -67.57 -20.36 65.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.8 t -93.91 -44.08 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.4 -40.51 88.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.52 23.36 36.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 11.3 t80 -74.11 152.9 39.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.13 85.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.32 150.93 8.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mt -52.36 175.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.425 ' HA ' ' CE2' ' A' ' 46' ' ' TYR . 1.6 p -65.24 -17.21 64.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -137.76 77.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -120.91 178.81 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -79.49 68.05 5.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.99 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.425 ' CE2' ' HA ' ' A' ' 41' ' ' SER . 13.4 t80 -42.38 -44.04 3.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -46.21 -62.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -38.88 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 33' ' ' GLN . 7.8 mp -39.31 -64.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -45.34 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' LYS . 23.4 mmt180 -44.4 -47.13 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.0 mt -55.25 -47.56 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.478 HD12 ' CD1' ' A' ' 30' ' ' ILE . 16.2 mt -65.88 -44.48 85.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.406 HG21 ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -63.28 -34.45 77.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 51' ' ' ARG . 3.7 mptt -74.72 -54.74 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -59.92 -44.31 94.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.3 tm? -54.23 -56.77 15.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -47.94 -27.55 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.14 -30.88 43.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' LEU . 58.2 mt -63.11 -43.99 99.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.22 -23.44 62.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -77.31 -31.53 54.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.4 t -64.01 111.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -74.88 150.36 39.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.3 p -115.55 -38.02 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.0 42.1 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.9 65.98 0.84 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -113.16 -36.45 5.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.47 -61.78 0.74 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -40.38 -49.83 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.756 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.556 HD12 ' CE1' ' A' ' 14' ' ' HIS . 37.8 mt -81.07 -54.06 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -40.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -50.42 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' ARG . . . -65.31 -64.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' N ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -37.94 -64.72 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -53.35 -40.6 65.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -66.23 -18.44 65.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -98.47 -17.96 18.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.35 -32.25 60.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -87.59 -33.14 18.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.61 -52.13 66.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -59.84 -50.63 73.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.379 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.17 -47.32 86.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -47.15 -49.51 22.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.7 -43.52 88.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.47 ' HG ' ' CD1' ' A' ' 53' ' ' LEU . 4.2 mt -51.01 -43.99 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -58.17 -59.54 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -47.47 -49.83 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.6 tp -40.51 -71.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -39.78 -40.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.74 -64.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -50.95 -24.7 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.572 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -41.09 -72.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 t -179.3 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.36 157.91 26.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.57 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.55 1.816 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.0 m 55.35 79.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.07 112.07 24.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.035 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.452 ' O ' ' CB ' ' A' ' 3' ' ' SER . 4.1 t -175.31 141.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.3 OUTLIER 81.48 157.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.943 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.33 129.09 6.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.4 -59.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 59.62 98.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.998 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.95 -93.09 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -39.68 143.23 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -98.76 158.53 15.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.79 104.27 8.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.99 -132.07 1.33 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.21 104.33 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 0.802 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -83.85 101.79 11.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 16.4 t-80 -43.43 141.35 2.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.573 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.03 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.1 m -102.43 -29.88 11.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.046 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.405 ' CD1' HG12 ' A' ' 71' ' ' ILE . 20.1 mm -74.66 -46.2 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.5 t -62.25 -40.6 96.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -59.29 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.3 mt -52.96 -37.12 60.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -64.84 -20.54 66.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.58 -10.08 22.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.416 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 5.3 mt -99.47 -35.52 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -67.98 -49.79 59.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -56.84 -22.75 38.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -74.49 -56.87 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.514 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 19.1 m -62.81 -30.56 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -75.97 -41.11 52.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.92 -13.71 62.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.514 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.1 pp -116.15 -1.5 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.567 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 5.9 tt0 -57.48 -47.12 99.54 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.01 -13.4 21.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -28.38 63.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.48 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -95.75 -41.48 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.0 t -62.56 -34.14 63.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.14 22.43 39.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CG ' ' N ' ' A' ' 38' ' ' SER . 59.6 t80 -79.01 171.79 14.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.515 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -168.31 92.77 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.5 -135.16 1.77 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -139.6 149.15 43.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 2.3 p -57.17 106.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 41' ' ' SER . 3.8 m-20 80.96 88.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.42 -174.0 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -80.08 58.64 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 176.26 -50.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.573 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 6.0 t80 -61.87 -40.22 94.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -51.82 -50.86 60.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.69 -60.0 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.421 ' CB ' HD23 ' A' ' 89' ' ' LEU . 75.6 mt -47.63 -63.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.455 ' OE1' ' CD2' ' A' ' 86' ' ' LEU . 3.0 tt0 -47.73 -43.85 27.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.07 -58.37 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mp -48.14 -41.9 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.83 -56.68 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.356 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -42.06 64.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -62.99 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 25.3 mm100 -46.32 -45.21 17.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.2 tm? -54.52 -56.81 15.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -47.91 -27.59 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -79.07 -31.1 44.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 57' ' ' LEU . 68.0 mt -62.18 -41.63 92.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -72.12 -25.26 61.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -16.12 61.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.066 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.9 t -78.78 116.86 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -78.76 160.78 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.1 p -122.14 -52.65 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.62 26.34 5.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.56 56.24 4.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' ILE . 26.8 mttm -130.28 91.64 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -40.22 -58.41 2.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' GLY . 80.0 m-20 -38.48 -35.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 68' ' ' LYS . 72.7 mt -94.12 -56.85 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.85 -43.16 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -62.26 -60.52 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -50.04 -58.11 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -63.55 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -57.16 -21.63 34.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -83.96 -24.92 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -90.15 -28.18 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.73 -14.44 62.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -99.1 -45.13 6.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -55.35 27.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.432 ' OG1' ' CG1' ' A' ' 27' ' ' VAL . 1.3 m -54.71 -54.4 42.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.97 -24.94 63.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -49.69 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.48 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 3.0 mt -59.49 -47.11 86.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.455 ' CD2' ' OE1' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -45.75 -27.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -43.69 15.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 85' ' ' LEU . 6.1 mm-40 -60.65 -41.24 94.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.573 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 8.4 tp -59.05 -51.53 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -35.62 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 110.332 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -59.67 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -52.54 -33.22 44.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -45.09 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.65 -54.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -130.15 156.51 21.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.79 4.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.95 150.8 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.89 91.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 111.029 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -122.32 88.58 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.94 112.33 9.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.18 92.56 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 p -162.53 135.47 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m 60.97 155.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.75 85.5 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.551 1.157 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.85 90.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.773 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -148.61 156.61 42.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.0 99.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.12 -122.11 7.38 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.76 137.47 16.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 68.52 92.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.506 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.1 t-80 -45.7 142.99 3.29 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.599 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.506 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.03 -16.44 20.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 t -90.78 -17.54 26.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.3 mm -92.46 -55.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 t -52.34 -22.14 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.26 -46.29 18.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -62.33 -44.13 97.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -51.63 -34.6 38.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -30.41 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.429 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 2.6 mt -79.26 -37.21 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -65.29 -57.39 8.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -49.63 -27.89 5.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -72.64 -70.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.499 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 6.3 m -50.54 -31.14 8.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -36.11 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.43 -5.22 35.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.8 pp -123.9 5.51 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.647 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 26.2 tt0 -68.99 -42.87 24.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.0 -0.7 10.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -88.59 -53.48 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.491 HG12 ' CD2' ' A' ' 85' ' ' LEU . 1.2 p -62.7 -39.52 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.3 t -58.14 -46.47 88.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.16 34.23 5.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.562 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 15.4 t80 -87.0 158.78 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.04 102.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -171.76 41.39 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt 50.42 -178.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 70.8 p -104.57 118.0 35.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' SER . 2.6 m-20 81.21 35.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.355 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 6.0 t0 -109.32 177.79 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -72.04 70.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t30 170.79 -48.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -58.91 -42.83 90.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -47.84 -65.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -67.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.508 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 74.8 mt -43.61 -65.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' N ' HD22 ' A' ' 89' ' ' LEU . 3.0 tt0 -45.1 -51.7 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -56.55 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.5 mt -41.21 -43.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 30' ' ' ILE . 69.9 mt -71.09 -54.52 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.91 -40.5 57.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.09 . . . . 0.0 110.359 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -67.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 28.6 mm100 -44.84 -45.59 10.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.1 tm? -53.87 -57.25 11.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.78 -27.65 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.49 -31.6 42.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.6 mt -63.24 -50.07 80.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -61.0 -25.21 66.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -47.11 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -45.48 115.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.6 164.15 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.5 p -129.55 -54.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.1 33.68 2.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.6 63.92 2.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -110.66 -29.53 7.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.746 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.2 -64.4 2.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.148 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -39.82 -42.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 0.739 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 14' ' ' HIS . 15.7 mt -89.67 -51.05 12.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.67 -30.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -54.24 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -59.41 -57.16 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -62.51 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -56.1 -26.28 49.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -79.7 -24.99 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -91.15 -27.68 18.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -18.51 63.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -96.97 -43.08 7.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -60.13 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -48.23 -58.7 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -56.62 -29.25 61.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -42.56 99.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.491 ' CD2' HG12 ' A' ' 34' ' ' VAL . 8.2 mt -75.09 -51.4 13.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.04 -32.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 85' ' ' LEU . 8.4 mmtm -69.13 -55.71 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.0 mm-40 -55.64 -28.77 57.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.516 HD11 ' CD2' ' A' ' 37' ' ' PHE . 5.1 tp -54.26 -58.63 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.88 -54.84 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -66.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.406 ' ND2' ' HB3' ' A' ' 88' ' ' GLU . 19.0 m-80 -40.95 -37.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.562 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -40.25 -73.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t -177.98 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 57.1 158.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 88.01 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 45.64 85.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.5 p -55.84 -56.98 14.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 p -175.61 144.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.79 133.85 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.61 -117.4 2.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 59.87 106.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.86 91.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.951 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.38 167.28 20.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.9 163.24 34.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -63.29 116.94 5.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.81 101.39 6.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.38 -87.22 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.28 126.69 31.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.94 87.0 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.486 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.5 t-80 -40.93 142.28 0.85 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.556 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.97 -5.07 16.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 m -96.12 -29.29 14.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.966 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.461 ' CD1' HG12 ' A' ' 71' ' ' ILE . 24.2 mm -76.25 -48.78 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.0 t -58.32 -19.04 31.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -81.78 -58.35 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.09 -33.66 53.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -63.45 -28.74 70.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.56 -12.77 38.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.9 mt -98.24 -40.57 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.69 -46.35 88.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -23.97 64.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -77.19 -64.33 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.499 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 13.0 m -54.76 -28.42 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -39.99 38.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.39 -10.56 58.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.5 pp -117.92 7.87 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 28.2 tt0 -70.08 -42.88 18.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.02 0.62 8.7 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -88.59 -55.57 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.485 ' CG2' HD12 ' A' ' 89' ' ' LEU . 1.1 p -64.46 -39.16 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.56 -39.78 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.51 28.61 12.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 9.0 t80 -84.32 146.49 27.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 111.055 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.404 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -143.54 113.04 6.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.08 -127.07 1.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mt -133.38 -174.55 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.429 ' O ' ' CE1' ' A' ' 46' ' ' TYR . 50.2 p -86.85 7.21 28.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 55.3 t0 -171.06 70.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.5 OUTLIER 159.64 179.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.42 -75.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -171.73 46.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CE1' ' O ' ' A' ' 41' ' ' SER . 44.0 t80 -97.43 -45.39 6.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -50.05 -53.04 29.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -68.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.1 mt -42.44 -54.82 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' N ' HD21 ' A' ' 89' ' ' LEU . 24.4 tt0 -55.83 -51.71 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 16.6 mmt85 -52.02 -39.66 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.356 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.0 mt -63.19 -53.58 44.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.439 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . 75.5 mt -61.58 -51.91 66.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -46.67 85.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -63.07 -45.97 89.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 9.2 mm-40 -61.29 -51.53 68.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -51.76 -52.91 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.7 -26.47 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HG3' ' CE ' ' A' ' 55' ' ' LYS . 1.3 mm-40 -81.12 -31.64 34.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.4 mt -61.8 -44.34 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -65.09 -25.53 67.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -36.21 68.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.0 t -58.95 117.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.69 148.64 33.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.9 p -106.96 -48.88 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.449 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.08 27.4 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.38 56.9 10.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' ILE . 3.5 mttm -131.33 93.87 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.265 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -37.81 -57.92 1.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' GLY . 12.8 m-20 -36.79 -40.9 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.461 HG12 ' CD1' ' A' ' 17' ' ' ILE . 83.0 mt -89.34 -59.94 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -40.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 4.6 mt-30 -65.09 -56.99 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.06 -52.23 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -69.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -51.06 -31.83 19.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -68.17 -35.61 78.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.11 -39.54 23.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -55.59 -27.64 50.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 84' ' ' ARG . 44.9 mt-30 -89.56 -46.75 8.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -62.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.244 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -51.26 -40.84 59.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 9.2 mm-40 -73.7 -21.9 60.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -71.47 -46.75 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.474 HD22 ' CG1' ' A' ' 34' ' ' VAL . 6.0 mt -66.71 -50.47 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.439 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -43.83 -38.42 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -60.08 -46.45 89.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 1.1 mm-40 -63.72 -41.13 98.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.252 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.485 HD12 ' CG2' ' A' ' 34' ' ' VAL . 6.9 tp -45.43 -36.88 4.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.77 -48.12 64.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.6 -62.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -42.06 -39.78 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.561 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -40.38 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.96 -53.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -153.64 153.15 24.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 56.99 4.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.544 1.813 . . . . 0.0 110.965 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.65 116.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 95.8 p -107.2 160.82 15.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 t -40.84 140.91 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 0.794 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.33 167.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.97 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.12 -84.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 p -171.41 -58.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.46 108.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.25 78.16 1.76 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 ttt -148.7 139.06 22.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -111.76 157.94 19.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.17 163.49 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.84 113.72 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.49 1.118 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 m120 48.57 94.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' HIS . 1.2 tt0 -71.55 92.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.571 ' CE1' HD12 ' A' ' 71' ' ' ILE . 18.0 t-80 -40.12 141.15 0.84 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.05 -13.37 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.414 ' HB2' ' ND1' ' A' ' 14' ' ' HIS . 19.5 m -93.97 -23.79 17.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 mm -85.2 -40.01 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -59.5 -24.35 63.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 110.068 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -49.64 13.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.71 -40.46 72.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -58.1 -28.14 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.94 -21.62 27.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.9 mt -87.54 -37.46 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -64.15 -55.25 23.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 10.1 ptm180 -52.11 -23.64 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.76 -67.38 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.49 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 9.1 m -53.69 -30.11 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' N ' HG21 ' A' ' 27' ' ' VAL . 2.7 tppp? -77.57 -40.96 40.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -68.36 -9.92 51.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.6 pp -118.97 3.97 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.641 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 21.3 tt0 -64.19 -43.28 73.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.0 0.79 8.48 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -94.52 -9.64 34.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.473 ' CG2' HD12 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -118.93 -38.89 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.53 -54.09 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.73 38.96 2.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 38' ' ' SER . 66.1 t80 -86.96 162.31 17.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.417 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -152.68 123.75 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 156.82 -149.75 20.66 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -109.64 179.07 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.562 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 5.6 m -95.58 35.33 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.5 t0 177.83 56.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.1 -175.8 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 56.99 2.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -177.63 -59.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.562 ' CD1' ' HA ' ' A' ' 41' ' ' SER . 63.5 t80 -41.02 -53.36 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -64.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -44.92 -53.95 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.405 ' CD1' HD13 ' A' ' 89' ' ' LEU . 19.9 mt -44.96 -53.0 8.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -67.78 -52.09 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -43.93 -42.45 5.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.4 mt -62.88 -58.71 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 98.3 mt -53.44 -58.15 8.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.72 -43.44 65.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 36.4 tptt -64.28 -64.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 30.2 mm100 -46.13 -43.51 15.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.1 tm? -52.16 -56.66 13.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -48.03 -28.25 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 3.7 mm-40 -78.94 -30.46 44.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' LEU . 63.7 mt -62.99 -44.25 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -68.79 -30.73 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -39.16 83.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.447 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 8.3 t -54.65 111.26 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -66.03 127.87 33.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.458 HG22 ' CZ ' ' A' ' 75' ' ' ARG . 58.3 p -97.3 -47.82 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.37 41.01 20.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.7 49.24 2.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -91.53 -46.19 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 71' ' ' ILE . . . 114.26 -62.25 0.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -43.29 -28.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.571 HD12 ' CE1' ' A' ' 14' ' ' HIS . 26.0 mt -100.74 -51.09 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -24.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -53.13 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -67.1 -57.87 5.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.458 ' CZ ' HG22 ' A' ' 65' ' ' THR . 0.0 OUTLIER -37.69 -71.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 77' ' ' ARG . 14.3 pttp -49.06 -50.69 35.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 76' ' ' LYS . 15.2 mmt180 -50.4 -43.52 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -72.37 -48.04 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.42 -41.68 52.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -70.57 -46.26 63.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -50.49 63.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.64 -55.71 24.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -53.77 -28.89 37.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -62.42 -54.55 38.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.441 ' CD2' HG13 ' A' ' 34' ' ' VAL . 4.2 mt -61.71 -40.43 94.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.63 -22.03 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.91 -39.8 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.59 -45.3 93.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' A' ' 34' ' ' VAL . 11.5 tp -42.07 -61.99 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -43.54 -63.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -53.1 -60.69 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -42.7 -51.78 5.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -41.03 -82.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -168.99 -58.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -71.63 153.24 50.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.143 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.32 7.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.6 t -85.57 -63.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.6 m 59.16 92.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 46.88 94.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 0.726 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -166.91 152.94 8.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.23 110.05 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.8 142.98 42.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 0.783 . . . . 0.0 109.989 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -163.42 160.59 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.142 . . . . 0.0 109.979 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.04 -174.98 39.41 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 mtp -162.65 -58.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -129.4 163.22 26.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -154.95 100.98 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.29 -70.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -119.86 123.44 43.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -90.66 95.41 10.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 13.9 t-80 -39.91 142.74 0.65 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.64 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.0 -1.83 11.74 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.1 m -101.06 -39.64 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mm -62.68 -53.48 46.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.0 t -52.85 -43.66 66.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -57.73 11.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.9 mt -53.01 -39.47 63.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -67.29 -32.47 73.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.01 -23.46 41.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.418 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 1.8 mt -90.52 -39.53 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -61.42 -50.5 72.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -55.86 -31.96 63.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.88 -60.47 2.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.49 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 11.3 m -59.78 -28.84 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -77.23 -40.12 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.64 -11.07 59.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.49 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.6 pp -117.81 4.6 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.653 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 21.0 tt0 -64.94 -42.22 60.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.0 -0.35 9.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -94.02 -10.39 33.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.16 -32.65 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.8 t -61.61 -43.32 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.62 31.93 7.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -85.65 152.8 22.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.59 117.98 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.05 144.9 4.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.1 mt -44.71 165.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.556 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 78.2 p -79.81 53.98 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 173.54 51.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -121.03 173.55 7.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -72.38 66.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 t30 174.78 -48.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.556 ' CD2' ' HA ' ' A' ' 41' ' ' SER . 52.2 t80 -60.62 -49.3 78.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -44.92 -67.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -40.25 -67.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.461 ' CD2' HD12 ' A' ' 89' ' ' LEU . 2.9 mp -40.03 -66.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.54 -53.78 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -55.86 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.5 mt -48.78 -57.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.6 mt -54.27 -58.46 7.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -51.31 -34.33 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.374 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' HG21 ' A' ' 54' ' ' THR . 3.3 mptp? -74.14 -55.01 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 19.5 mm100 -53.97 -47.14 71.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.2 tm? -55.03 -57.68 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.53 -27.14 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.77 -32.62 40.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.0 mt -62.33 -51.25 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -60.05 -24.84 64.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.52 -30.27 57.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.61 114.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -74.81 151.99 39.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.3 p -110.56 -36.88 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 59.75 25.09 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.88 56.7 10.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -129.46 100.85 5.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -38.38 -56.8 1.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' GLY . 21.8 m-20 -38.7 -55.59 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' A' ' 14' ' ' HIS . 78.3 mt -73.57 -58.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -37.52 -54.11 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.34 -59.48 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -50.56 -61.7 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -44.88 -69.66 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -48.83 -40.41 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -64.94 -28.65 69.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -86.77 -36.75 18.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.92 -18.55 45.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' ARG . 94.4 mt-30 -99.86 -49.57 4.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.84 -52.69 10.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -58.13 -60.57 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -58.01 -16.31 12.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -74.2 -46.52 41.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 86' ' ' LEU . 5.2 mt -70.09 -43.72 70.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -40.08 -38.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -62.25 -68.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -39.47 -41.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 110.293 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.461 HD12 ' CD2' ' A' ' 49' ' ' LEU . 10.2 tp -49.7 -47.98 50.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 87' ' ' LYS . 2.6 tt0 -71.28 -54.74 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.14 -56.26 6.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' ALA . 4.8 m-20 -58.77 -40.69 84.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' ASN . . . -40.2 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.5 p -177.46 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 57.76 157.27 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -47.16 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 p -158.07 132.34 8.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.6 p -98.66 164.53 12.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -163.41 -58.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.984 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.7 m 62.21 164.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.44 -127.21 1.5 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m 61.97 117.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 0.735 . . . . 0.0 109.976 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.18 158.34 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.65 106.15 2.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.21 141.78 51.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -140.99 163.64 32.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.29 117.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.14 -107.65 0.44 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -137.63 152.03 48.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 14' ' ' HIS . 12.8 tt0 -136.05 48.85 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.581 ' CE1' HD11 ' A' ' 71' ' ' ILE . 10.9 t-80 61.07 141.73 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.627 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.06 -18.38 18.65 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.447 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 54.5 m -90.76 -42.6 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 mm -72.06 -47.31 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -59.04 -28.36 66.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 4.0 tpp180 -63.02 -59.67 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.521 ' CD1' ' NH2' ' A' ' 75' ' ' ARG . 12.5 mt -48.5 -38.04 19.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' NE2' HE22 ' A' ' 13' ' ' GLN . 20.2 mt-30 -63.82 -29.56 70.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' ARG . 8.0 tt0 -86.88 -12.97 46.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLU . 2.2 mt -99.4 -54.87 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -45.78 -41.01 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.23 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -64.18 -32.83 74.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' ILE . 3.4 mm-40 -71.73 -62.36 1.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.503 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 15.7 m -53.49 -32.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -76.94 -40.29 47.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.22 -11.1 60.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.503 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.3 pp -118.68 -1.21 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.584 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 7.2 tt0 -59.37 -46.67 98.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.05 -10.3 21.07 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.439 1.757 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -79.97 -15.99 56.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.511 ' CG2' ' CD1' ' A' ' 85' ' ' LEU . 1.5 m -109.43 -34.99 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.7 t -62.47 -45.37 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.2 31.97 8.09 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.533 ' CD2' HD12 ' A' ' 89' ' ' LEU . 9.2 t80 -84.53 154.03 22.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.475 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 36.9 m -146.67 107.79 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.422 ' O ' ' CZ ' ' A' ' 37' ' ' PHE . . . 157.02 139.32 2.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.52 177.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' ASP . 32.8 p -94.52 177.03 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 41' ' ' SER . 5.3 m-20 38.99 52.21 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -133.26 165.26 25.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -68.3 68.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' ASP . 8.7 m-20 172.97 -45.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.53 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 28.8 t80 -72.18 -23.28 61.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -65.62 -47.42 75.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.57 -49.35 70.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.41 ' CD1' HD11 ' A' ' 89' ' ' LEU . 73.4 mt -60.64 -64.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -49.46 -54.86 15.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -44.37 -51.42 8.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.0 mt -50.38 -62.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 86' ' ' LEU . 58.7 mt -53.89 -56.26 19.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -48.11 -49.36 32.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.451 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -57.83 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -51.2 -50.57 58.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.2 tm? -53.55 -60.95 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.67 -30.51 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.22 -31.34 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 57' ' ' LEU . 39.7 mt -62.19 -49.29 84.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -69.93 -35.36 74.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -58.98 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 19' ' ' ARG . 18.5 t -40.76 115.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -59.6 165.81 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.5 p -136.67 -48.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.93 43.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.12 64.19 0.83 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -110.42 -21.05 12.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 80.21 -67.48 3.46 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' GLY . 28.4 m-20 -39.14 -36.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.581 HD11 ' CE1' ' A' ' 14' ' ' HIS . 94.9 mt -92.7 -53.17 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.64 -48.2 28.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.255 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -52.77 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.476 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . . . -51.96 -55.85 17.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.521 ' NH2' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.32 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.295 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 75' ' ' ARG . 17.4 ptmt -39.69 -38.44 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -47.98 63.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -66.25 -47.84 72.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.04 -53.74 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -54.03 -49.22 69.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.34 -61.77 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 57' ' ' LEU . 47.1 m -44.84 -61.01 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.69 -50.1 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.22 -52.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.511 ' CD1' ' CG2' ' A' ' 34' ' ' VAL . 1.4 mm? -63.89 -55.1 25.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.416 ' N ' HD11 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -40.32 -49.02 2.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -61.02 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' ASN . 3.0 mm-40 -46.99 -53.0 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.533 HD12 ' CD2' ' A' ' 37' ' ' PHE . 46.8 tp -41.17 -60.54 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 8.0 mt-10 -42.83 -59.56 1.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 93' ' ' ALA . 1.7 mm-40 -60.48 -64.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' GLU . 4.3 m-80 -39.98 -31.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.461 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -51.68 -72.43 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t 179.82 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.82 174.66 36.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 163.38 35.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.7 t -138.13 156.51 47.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.943 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 m -145.4 -57.91 0.33 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.512 1.132 . . . . 0.0 109.98 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.89 166.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 m -45.13 129.73 7.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.77 -101.39 1.8 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.155 . . . . 0.0 111.045 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t 45.35 90.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 109.992 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.61 140.14 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.173 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.08 155.67 6.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.44 152.19 18.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -64.53 -55.05 23.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.84 127.91 38.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 166.89 -152.59 21.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -74.07 120.02 19.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.44 94.23 9.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.509 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.2 t-80 -43.76 143.08 1.75 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.579 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.99 -18.93 18.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -87.21 -32.53 19.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 mm -75.5 -51.03 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.7 t -56.65 -18.36 11.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.44 ' HG3' ' CD1' ' A' ' 23' ' ' ILE . 2.9 tpp180 -84.45 -59.38 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 110.357 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -49.41 -43.74 44.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -52.62 -30.62 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.59 -29.71 25.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.44 ' CD1' ' HG3' ' A' ' 19' ' ' ARG . 7.6 mt -77.44 -35.24 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -67.92 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 8.6 ptm180 -45.42 -25.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.05 -67.03 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.501 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 14.6 m -51.86 -29.69 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 27' ' ' VAL . 5.7 mtmt -80.21 -41.27 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -71.59 -3.92 24.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.501 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.0 pp -124.27 0.08 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.599 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 8.1 tt0 -62.49 -45.26 89.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.97 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.807 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -87.4 -20.59 26.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -101.59 -36.58 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.75 -40.85 90.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.77 29.76 11.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CD2' HD13 ' A' ' 89' ' ' LEU . 14.6 t80 -83.17 152.18 25.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.66 92.64 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.72 128.43 1.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 ' HG ' ' CB ' ' A' ' 94' ' ' SER . 0.3 OUTLIER -60.25 140.62 56.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' LEU . 13.9 p -38.31 116.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.05 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.8 t0 63.48 74.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.08 21.11 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 79.31 45.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -179.83 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.42 ' CE1' ' HG ' ' A' ' 89' ' ' LEU . 51.2 t80 -55.4 -41.73 73.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -48.32 -61.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' LYS . 3.5 ttm-85 -38.38 -58.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.4 ' CB ' HD23 ' A' ' 89' ' ' LEU . 76.1 mt -47.51 -62.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -53.06 -52.83 57.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -42.16 -43.25 3.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.3 mt -59.89 -63.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 86' ' ' LEU . 29.9 mt -53.56 -57.0 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -51.64 -49.41 62.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -58.96 -56.54 20.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 25.7 mm100 -52.4 -46.78 66.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.66 -54.19 30.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -50.64 -26.83 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -80.49 -31.34 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 56' ' ' GLN . 57.2 mt -61.82 -42.07 93.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.51 -28.11 66.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -39.74 78.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.01 116.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -75.54 168.48 19.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.1 p -129.97 -55.35 1.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.92 38.04 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.76 65.26 1.83 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -112.25 -32.86 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.82 -63.4 2.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -40.29 -47.69 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.463 HD13 ' CE1' ' A' ' 14' ' ' HIS . 38.5 mt -82.31 -54.08 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -45.45 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -49.17 78.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -63.39 -60.17 3.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -42.58 -70.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -44.2 -50.67 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.484 ' N ' ' CG ' ' A' ' 76' ' ' LYS . 17.2 mmt85 -56.63 -37.16 70.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -74.5 -41.99 59.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.9 -41.98 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -75.26 -44.27 46.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -60.64 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -47.03 -60.61 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.5 -47.81 38.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -66.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 34' ' ' VAL . 4.1 mm? -50.61 -51.51 48.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -41.57 -49.43 4.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -52.85 63.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -52.84 -39.04 62.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.545 HD13 ' CD2' ' A' ' 37' ' ' PHE . 4.1 tp -54.12 -62.56 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -40.34 -56.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -62.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -40.72 -37.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.512 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -44.2 -73.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.469 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -178.39 -41.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.16 172.51 29.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 166.11 29.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.7 m -82.82 104.43 13.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t -169.92 -58.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m 52.69 74.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 p -167.7 123.56 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.039 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.37 121.97 0.59 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 t -124.52 162.27 24.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -107.79 95.84 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.0 162.47 18.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.429 1.08 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.74 138.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -167.5 99.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.76 83.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.39 114.38 0.77 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.7 m120 58.7 163.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 14' ' ' HIS . 12.9 tt0 -139.51 45.01 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.5 t-80 60.77 143.29 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.626 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.01 -20.97 16.32 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.492 ' HB2' ' CE1' ' A' ' 14' ' ' HIS . 0.3 OUTLIER -87.68 -54.28 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.979 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -56.04 -48.49 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 t -60.8 -19.58 59.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.017 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -79.78 -51.42 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 74' ' ' ALA . 9.4 mp -56.17 -40.42 73.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -66.64 -23.89 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.34 -5.97 53.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.41 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 2.5 mt -111.36 -36.09 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -62.35 -49.93 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -55.99 -28.4 57.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.02 -63.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.509 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 13.1 m -55.29 -30.2 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -41.07 28.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -69.16 -13.95 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.2 pp -112.91 4.76 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.64 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 25.6 tt0 -66.01 -42.69 53.5 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.96 -0.99 10.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 15.6 mt-30 -92.02 -7.21 49.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -122.94 -37.75 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 25.3 t -37.95 -69.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.38 49.67 0.83 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.499 ' CG ' ' N ' ' A' ' 38' ' ' SER . 29.3 t80 -81.06 164.86 22.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.499 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 91.7 p -146.49 105.73 3.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.451 ' HA3' ' CZ ' ' A' ' 37' ' ' PHE . . . 178.64 147.87 7.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.2 145.23 51.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.1 p -39.67 108.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.522 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 1.5 m-20 72.81 82.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.5 OUTLIER 163.22 162.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 69.21 -97.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' TYR . 2.8 t-20 -116.8 -36.96 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.522 ' CD1' ' HA ' ' A' ' 42' ' ' ASP . 3.6 t80 -35.47 -40.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm -48.34 -60.25 2.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -59.06 -54.4 47.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 mp -40.73 -59.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -49.89 -63.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -45.22 -52.66 9.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.5 mt -49.01 -60.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.6 mt -57.26 -56.55 20.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.13 -38.14 4.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -48.8 34.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 14.2 mm100 -59.75 -47.75 84.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.4 tm? -54.73 -57.73 10.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -47.41 -28.19 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -78.1 -32.38 50.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 57' ' ' LEU . 33.0 mt -62.96 -47.59 92.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.69 -15.47 62.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.47 -36.7 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.481 ' CG1' HD13 ' A' ' 20' ' ' LEU . 24.7 t -60.24 117.3 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -83.84 137.35 33.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -98.38 -32.49 11.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.78 40.48 26.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.98 56.78 20.53 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' ILE . 23.7 mttm -129.89 91.0 3.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 0.738 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -39.41 -58.18 2.1 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 69' ' ' GLY . 1.5 m-20 -38.7 -37.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.376 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.49 ' CD1' ' CE1' ' A' ' 14' ' ' HIS . 97.8 mt -91.77 -56.63 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.32 -45.88 6.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -54.77 43.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.484 ' HB2' ' CD2' ' A' ' 20' ' ' LEU . . . -56.83 -54.58 44.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -50.21 -67.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -49.73 -25.22 2.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 5.0 mmm180 -81.86 -31.99 31.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -79.17 -22.1 45.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.4 -35.67 76.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -80.27 -37.77 32.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -62.8 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.64 -58.95 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -49.7 -39.66 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.89 -60.33 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.76 -52.01 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 89' ' ' LEU . 1.4 mt -40.96 -60.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mmmt -39.87 -54.72 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.64 -40.49 83.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.522 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 9.5 tp -44.27 -28.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.73 -54.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -58.03 -56.08 26.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 35' ' ' VAL . 1.3 m-80 -52.31 -44.78 65.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 92' ' ' ASN . . . -40.47 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t -171.38 -40.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.041 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 61.66 161.5 0.17 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -45.91 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.81 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.9 m -102.02 118.0 35.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.62 167.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t -113.15 -58.41 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.996 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.14 145.37 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.56 -140.25 6.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.89 147.33 30.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 m -132.99 138.79 46.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.21 140.2 5.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.108 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -175.31 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -116.87 160.77 20.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -108.65 136.09 48.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.67 -124.06 6.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -59.65 156.4 13.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 14' ' ' HIS . 13.8 tt0 -132.96 43.0 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.573 ' CE1' HD11 ' A' ' 71' ' ' ILE . 18.4 t-80 61.33 139.5 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.638 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD2' ' ND1' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -75.02 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 50.6 m -107.9 -48.06 3.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.2 mm -63.37 -40.22 88.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 t -60.12 -34.9 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -63.98 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.581 ' CD1' ' CG2' ' A' ' 63' ' ' VAL . 1.3 mp -44.68 -36.87 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -67.51 -40.38 85.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -77.81 -11.16 59.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.416 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 1.7 mt -100.7 -30.01 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -68.54 -53.15 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 26' ' ' GLU . 3.4 ptm180 -54.02 -22.06 9.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.3 mm-40 -75.4 -56.27 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.506 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 20.3 m -61.36 -29.2 45.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -77.45 -37.76 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.234 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.65 -9.36 58.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.506 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.3 pp -120.15 3.66 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 24.8 tt0 -66.27 -43.25 53.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.01 1.13 8.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.457 ' CB ' HD22 ' A' ' 49' ' ' LEU . 16.2 mt-30 -93.82 -12.01 29.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG2' HD12 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -113.45 -33.26 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.35 -43.31 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.35 22.08 42.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.462 ' CG ' ' N ' ' A' ' 38' ' ' SER . 84.4 t80 -73.75 169.79 16.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.462 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -167.61 103.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.74 -161.52 35.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 mt -100.81 175.38 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.7 p -86.81 49.68 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 167.88 55.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -116.66 175.98 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -75.74 59.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.44 -55.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.531 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 56.3 t80 -46.78 -50.09 18.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -54.72 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.61 -67.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.457 HD22 ' CB ' ' A' ' 33' ' ' GLN . 2.8 mp -41.9 -65.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -40.18 -55.95 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -55.76 -50.04 71.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -52.35 -55.24 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CD2' HG22 ' A' ' 82' ' ' THR . 26.7 mt -57.09 -58.41 8.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -50.19 -44.3 52.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -60.35 -63.76 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 17.1 mm100 -44.44 -51.38 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.2 tm? -54.1 -57.44 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -47.73 -27.54 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 1.6 mm-40 -79.39 -32.25 43.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.445 ' CD1' ' HB1' ' A' ' 78' ' ' ALA . 53.1 mt -61.61 -49.38 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.86 -29.86 68.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -38.57 91.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.581 ' CG2' ' CD1' ' A' ' 20' ' ' LEU . 3.5 t -59.58 111.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -79.47 115.6 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.431 HG23 ' NH2' ' A' ' 75' ' ' ARG . 22.9 p -84.68 -14.89 47.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 39.1 45.52 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.59 59.21 1.64 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -103.82 -20.93 13.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.38 -50.06 4.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -49.51 -57.27 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.573 HD11 ' CE1' ' A' ' 14' ' ' HIS . 12.7 mt -75.11 -54.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' ILE . 7.7 mt-30 -76.05 -58.13 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -62.96 -46.05 89.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.46 ' NE ' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -50.46 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -27.57 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -76.49 -34.12 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -81.2 -33.5 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.63 85.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.53 -41.51 75.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.453 HG22 ' CD2' ' A' ' 53' ' ' LEU . 52.3 m -46.62 -62.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -48.48 -47.1 38.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.34 -60.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -56.52 -48.36 77.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.68 -62.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -43.67 -58.35 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -47.3 -45.6 24.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.531 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 8.8 tp -41.89 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -38.56 -61.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.14 -64.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -40.17 -51.72 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.44 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -168.85 -70.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -71.57 155.25 52.09 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.583 1.177 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.08 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.025 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -166.94 -56.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.8 p -161.56 133.28 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 48.22 82.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.85 153.66 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.76 -92.0 1.6 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t 61.39 95.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.77 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 p -175.89 153.93 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.52 164.8 33.7 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.28 132.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -165.06 147.4 8.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -139.84 150.15 44.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.11 -116.61 3.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -84.69 133.35 34.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -85.23 108.53 17.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.468 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 12.3 t-80 -45.12 141.71 3.16 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.585 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.99 -15.43 20.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.41 ' HB2' ' ND1' ' A' ' 14' ' ' HIS . 48.0 m -91.59 -34.8 14.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 71' ' ' ILE . 16.5 mm -67.48 -55.32 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.8 t -48.54 -44.57 36.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -53.79 -59.15 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.7 mt -49.72 -47.06 50.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.25 -21.67 65.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.2 tt0 -95.05 -16.51 22.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.431 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 4.4 mt -91.69 -38.05 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.31 -46.94 86.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -58.64 -29.75 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.94 -59.89 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.498 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 12.7 m -59.95 -32.07 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -43.51 65.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.7 -20.92 65.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.498 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.0 OUTLIER -109.11 6.22 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.679 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 22.8 tt0 -64.45 -40.45 50.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.03 -30.34 7.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.492 ' CB ' HD23 ' A' ' 49' ' ' LEU . 23.5 mt-30 -62.66 -21.56 65.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.47 HG22 ' CD2' ' A' ' 49' ' ' LEU . 74.4 t -93.23 -48.95 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.57 -38.87 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.67 19.02 56.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.554 ' CD2' HD13 ' A' ' 89' ' ' LEU . 15.4 t80 -68.06 174.12 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.99 89.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.464 ' O ' ' CA ' ' A' ' 93' ' ' ALA . . . 170.74 172.25 36.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.76 178.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.79 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.6 p -92.72 32.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 4.3 p-10 179.0 47.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 45' ' ' ASN . 1.3 t70 175.92 -173.91 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt 68.52 -73.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' ASP . 18.4 t-20 -170.38 33.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CE2' ' OE1' ' A' ' 50' ' ' GLU . 66.0 t80 -81.69 -36.93 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -70.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' LEU . 3.5 tpt85 -38.53 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.492 HD23 ' CB ' ' A' ' 33' ' ' GLN . 5.8 mp -38.9 -61.29 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.427 ' OE1' ' CE2' ' A' ' 46' ' ' TYR . 3.4 tt0 -47.31 -58.84 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -43.69 -47.97 7.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 55' ' ' LYS . 14.8 mt -54.3 -71.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.471 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . 39.6 mt -44.28 -55.67 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -50.59 -34.5 26.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -77.07 -46.65 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 28.4 mm100 -61.5 -46.09 91.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.1 tm? -53.97 -57.22 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -47.77 -27.67 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 0.9 OUTLIER -79.11 -32.07 44.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.431 ' CG2' ' HG2' ' A' ' 75' ' ' ARG . 26.0 mt -62.5 -48.12 89.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.76 -31.53 72.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -35.7 81.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 t -58.66 114.69 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -85.51 130.95 34.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 67' ' ' GLY . 81.3 p -113.59 85.67 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.68 63.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' THR . . . 37.42 63.81 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -112.69 -31.51 6.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.734 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.44 -63.85 2.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -41.71 -42.57 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 17' ' ' ILE . 29.4 mt -86.43 -52.3 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.06 -43.94 9.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -59.72 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.86 -67.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.431 ' HG2' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -40.97 -63.23 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -40.37 -59.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -56.99 -46.71 82.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.41 -49.86 68.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' CA ' HG22 ' A' ' 60' ' ' ILE . . . -49.33 -44.71 44.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -72.16 -44.82 62.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.74 -62.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.82 -61.52 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.89 -37.28 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -44.44 83.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -73.47 -44.03 58.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.471 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 0.8 OUTLIER -54.62 -42.16 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -33.47 64.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 1.3 mm-40 -68.59 -17.55 64.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.554 HD13 ' CD2' ' A' ' 37' ' ' PHE . 45.1 tp -86.69 -59.94 2.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 91' ' ' GLN . 8.5 pt-20 -46.3 -36.76 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 1.4 mt-30 -76.03 -61.08 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 27.9 m-20 -52.02 -28.17 16.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.464 ' CA ' ' O ' ' A' ' 39' ' ' GLY . . . -46.05 -72.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.0 t -178.99 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 55.87 173.16 0.14 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 164.3 33.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 99' ' ' GLY . 52.0 p -89.95 133.47 34.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.2 m 62.9 -81.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 97' ' ' SER . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -85.17 90.45 7.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 p -45.81 111.06 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.2 -170.45 43.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 p -174.72 153.38 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m 53.86 94.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.28 102.0 0.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 mtm -157.84 94.0 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.64 166.87 11.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -159.6 133.81 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 130.53 -123.67 4.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -72.81 103.51 3.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -87.28 93.99 9.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.493 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.7 t-80 -40.83 143.01 0.75 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.1 Cg_endo -75.01 -32.69 5.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.768 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 m -71.81 -34.71 69.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.461 ' CD1' HG12 ' A' ' 71' ' ' ILE . 18.2 mm -68.04 -59.15 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.9 t -51.33 -27.14 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -73.54 -68.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -53.64 -25.43 17.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -72.57 -29.94 63.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.29 -25.41 54.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.405 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 1.4 mt -79.58 -24.67 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -68.03 -52.57 34.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -28.23 46.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.65 -62.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.479 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 15.9 m -54.27 -28.15 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -78.64 -39.45 37.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.88 -11.62 60.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.479 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.6 pp -115.63 -3.72 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 13.3 tt0 -55.0 -44.41 99.59 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.06 -39.27 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -53.94 -20.74 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.5 t -94.43 -50.9 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.1 t -58.1 -38.05 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.62 26.96 22.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' A' ' 38' ' ' SER . 36.3 t80 -75.7 162.99 27.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -150.55 102.73 3.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.411 ' O ' ' CA ' ' A' ' 93' ' ' ALA . . . 172.89 158.85 18.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.408 ' N ' HD22 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -84.42 143.47 29.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.253 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 83.4 p -40.85 107.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 41' ' ' SER . 2.2 m-20 82.38 101.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -164.01 -175.32 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.71 63.45 2.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 172.07 -54.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.534 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 29.6 t80 -48.08 -47.02 34.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -47.01 -45.63 21.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -52.43 -66.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 89' ' ' LEU . 18.1 mt -45.19 -62.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -50.02 -37.6 33.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 7.6 mmt180 -66.36 -35.97 81.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.0 mt -61.24 -65.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.494 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . 3.9 mm? -45.62 -62.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -48.85 -53.0 21.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 54' ' ' THR . 1.1 tmtt? -54.54 -53.86 48.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -57.77 -47.4 82.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -50.59 -54.85 19.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.421 ' N ' HD13 ' A' ' 57' ' ' LEU . 4.1 t80 -51.1 -26.2 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 3.6 mm-40 -81.59 -29.95 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.446 ' CG2' ' HG2' ' A' ' 75' ' ' ARG . 7.3 mt -66.22 -50.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.15 -27.68 68.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -35.07 78.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 t -69.19 108.39 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -62.19 172.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.7 p -131.94 -50.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 65.42 51.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.63 37.64 61.62 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.536 1.148 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -111.0 90.42 3.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.75 -40.82 12.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -50.82 -22.26 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.461 HG12 ' CD1' ' A' ' 17' ' ' ILE . 80.8 mt -103.42 -50.03 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -39.64 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -60.77 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -50.33 -69.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' HG2' ' CG2' ' A' ' 60' ' ' ILE . 0.2 OUTLIER -38.8 -61.91 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.81 -63.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -49.14 -31.5 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -77.27 -37.2 53.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -60.63 -37.42 81.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -75.91 -42.38 49.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -49.26 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.472 ' CA ' HD11 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -59.91 -65.5 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.92 -51.03 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -49.99 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 3.1 mm? -64.13 -45.25 89.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.494 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -43.17 -58.04 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 88' ' ' GLU . 7.1 mmmt -52.72 -55.97 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 87' ' ' LYS . 1.9 mm-40 -38.08 -47.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.534 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 33.4 tp -43.84 -59.65 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -45.51 -44.25 12.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -66.7 -65.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -48.16 -29.73 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.411 ' CA ' ' O ' ' A' ' 39' ' ' GLY . . . -46.06 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 167.81 -52.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.54 161.77 45.42 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 148.02 34.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.789 . . . . 0.0 111.007 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.53 122.13 24.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 m -134.74 144.42 47.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.37 131.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 110.023 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m 61.78 158.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.83 64.93 0.99 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.3 81.8 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.022 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -147.43 136.58 22.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.31 97.93 0.21 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.89 122.65 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.13 -56.26 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.32 167.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.59 -106.39 0.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -51.77 119.9 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -71.05 99.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.494 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.2 t-80 -44.45 142.72 2.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.494 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.03 -23.02 14.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.5 m -85.93 -16.91 36.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 mm -89.84 -55.39 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.9 t -44.76 -34.31 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.464 ' CZ ' HG21 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -61.66 -57.68 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 75' ' ' ARG . 9.4 mt -56.62 -20.9 23.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -86.25 -16.05 38.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -99.22 -16.04 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.2 mt -97.49 -43.4 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 24.1 mt-30 -58.38 -42.45 87.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -63.74 -27.91 69.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.36 -61.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.499 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 18.2 m -53.76 -29.34 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 24' ' ' GLN . 1.4 mmtp -75.92 -45.17 36.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.54 -10.35 50.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.1 pp -120.82 -2.05 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 18.3 tt0 -55.27 -44.53 99.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.5 Cg_endo -75.02 -20.03 17.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -70.3 -19.27 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.352 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.6 t -100.98 -44.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.6 -38.31 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.17 26.51 24.02 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 17.4 t80 -79.14 155.56 28.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.81 100.42 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.28 144.87 4.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -48.08 171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.559 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 19.4 m -89.67 44.54 1.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 176.0 55.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -127.62 173.07 10.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 61.81 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -177.35 -47.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.563 ' CE1' HD21 ' A' ' 89' ' ' LEU . 72.2 t80 -57.92 -49.61 76.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -48.12 -53.47 16.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -51.89 -61.09 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.4 mt -44.65 -64.49 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -51.26 -44.79 61.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -52.34 -41.5 63.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.5 mt -60.82 -59.65 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 30' ' ' ILE . 97.2 mt -56.08 -56.19 23.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -53.9 -44.53 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 4.3 tptm -64.79 -53.14 51.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 18.6 mm100 -55.6 -49.15 73.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.453 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 1.4 tm? -53.01 -54.1 40.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.3 -26.75 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 0.6 OUTLIER -79.83 -30.31 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.436 ' O ' ' CD ' ' A' ' 75' ' ' ARG . 55.9 mt -65.04 -44.92 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -72.96 -4.69 33.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.63 -56.49 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.526 ' CG1' ' HD2' ' A' ' 75' ' ' ARG . 1.6 p -57.08 129.65 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -84.62 175.8 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -130.72 -44.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 79.16 45.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.35 63.64 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -112.32 -32.96 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 98.89 -65.05 0.71 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.56 1.163 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' GLY . 36.7 m-20 -39.82 -52.11 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.448 HD13 ' CE1' ' A' ' 14' ' ' HIS . 35.3 mt -75.19 -55.89 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.488 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -42.5 -55.05 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 0.7 OUTLIER -53.2 -41.08 64.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HB1' ' CD1' ' A' ' 20' ' ' LEU . . . -67.1 -66.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.526 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -39.01 -57.86 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.488 ' CE ' ' OE1' ' A' ' 72' ' ' GLN . 14.1 ptpt -57.61 -42.29 82.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 17.6 mmt180 -62.49 -45.21 94.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.06 97.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -55.76 -37.01 67.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.13 -37.94 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.92 -58.92 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.453 ' CG2' ' HB2' ' A' ' 57' ' ' LEU . 1.2 m -55.07 -42.85 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 50.0 mm-40 -66.39 -21.12 66.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -49.72 52.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 88' ' ' GLU . 3.5 mt -58.95 -51.32 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.413 ' N ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -43.89 -40.24 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -64.89 -44.4 89.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -59.62 -46.82 87.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.563 HD21 ' CE1' ' A' ' 46' ' ' TYR . 18.5 tp -45.63 -63.84 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -39.07 -61.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' ASN . 18.0 mt-30 -58.99 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' GLN . 1.5 m-80 -39.93 -43.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.501 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -39.93 -76.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.54 -35.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -105.23 161.44 14.77 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.04 32.12 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.3 t -87.58 147.57 25.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.12 158.78 43.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.92 134.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.18 95.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.947 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.24 -165.15 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.98 -57.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.58 151.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.61 142.06 15.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.89 149.19 30.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.85 98.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -168.28 109.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.18 -179.18 28.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 60.94 99.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -117.48 95.62 5.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.482 ' CE1' HD12 ' A' ' 71' ' ' ILE . 10.2 t-80 -47.42 141.29 6.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -74.99 -19.17 18.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.9 m -88.16 -22.82 23.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.41 ' CD1' HG12 ' A' ' 71' ' ' ILE . 21.1 mm -86.65 -47.56 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.5 t -55.71 -22.14 22.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 23' ' ' ILE . 2.1 tpp180 -80.32 -48.19 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 75' ' ' ARG . 7.0 mt -59.77 -42.64 93.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -56.48 -33.6 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -35.19 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 19' ' ' ARG . 3.0 mt -71.99 -37.75 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' GLU . 8.6 mt-30 -64.84 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 26' ' ' GLU . 7.5 ptp180 -43.44 -27.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.6 mm-40 -73.21 -70.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.487 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 4.2 m -51.64 -28.37 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -43.2 34.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.18 -16.82 63.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.487 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.4 pp -111.17 11.61 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.648 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 26.7 tt0 -72.85 -42.69 7.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.1 Cg_endo -75.0 1.18 8.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.779 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.468 ' CB ' HD21 ' A' ' 49' ' ' LEU . 18.6 mt-30 -96.68 -6.78 35.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.465 ' CB ' HD12 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -119.35 -35.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.99 -44.93 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.68 21.17 46.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.123 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.43 ' CD2' HD11 ' A' ' 89' ' ' LEU . 92.8 t80 -76.62 167.09 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.428 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -167.87 101.66 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.09 173.9 37.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.055 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 mt -73.26 170.62 14.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.417 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 11.3 p -89.05 60.79 5.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 167.7 43.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -108.45 172.41 6.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -75.27 59.28 1.01 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -179.13 -50.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.417 ' CD2' ' HA ' ' A' ' 41' ' ' SER . 46.7 t80 -53.93 -47.16 71.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 51' ' ' ARG . 7.5 mmmm -54.59 -37.71 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -59.19 -58.83 6.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 33' ' ' GLN . 5.3 mp -52.71 -60.93 2.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.07 -36.15 28.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 4.0 mmt85 -69.47 -29.75 67.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' LEU . 18.3 mt -70.71 -69.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . 2.9 mm? -38.76 -65.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.26 -45.04 8.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -62.92 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 8.5 mm100 -49.5 -43.23 45.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.413 HD13 ' N ' ' A' ' 58' ' ' PHE . 1.4 tm? -51.48 -54.18 29.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.413 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.3 t80 -51.0 -26.16 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 0.6 OUTLIER -81.67 -31.89 32.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.2 mt -62.74 -48.25 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -61.73 -31.33 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -53.1 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.0 t -40.28 123.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -89.63 135.62 33.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' GLY . 41.3 p -121.22 84.69 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.81 62.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' THR . . . 36.86 67.98 0.38 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -116.77 -39.62 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.82 -63.21 0.67 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -41.17 -37.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.482 HD12 ' CE1' ' A' ' 14' ' ' HIS . 46.8 mt -92.02 -51.78 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -42.99 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -56.36 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.365 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -55.32 -58.56 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -45.83 -68.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 5.5 pttt -48.08 -39.21 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 8.8 mmm180 -67.15 -30.51 70.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -84.19 -35.24 23.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.53 -20.83 63.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 84' ' ' ARG . 91.7 mt-30 -92.04 -49.21 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.09 -62.61 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -45.45 -59.68 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -60.82 -21.57 63.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -70.76 -40.03 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 88' ' ' GLU . 13.1 mt -77.56 -47.83 18.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 1.2 mt -39.44 -49.24 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -67.95 -43.1 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.6 mm-40 -51.67 -47.11 63.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.465 HD12 ' CB ' ' A' ' 34' ' ' VAL . 12.4 tp -52.56 -61.61 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -53.46 -32.4 49.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -74.99 -28.47 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -108.48 21.12 17.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.39 -83.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 t -175.77 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.95 172.63 31.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 169.86 21.69 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.8 m -154.05 84.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.97 112.51 6.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m 61.81 168.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.02 160.16 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.49 -171.44 14.4 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.496 1.123 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.9 162.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 p -145.38 153.61 41.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.36 -128.54 0.96 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.68 130.23 52.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.08 139.72 14.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.83 90.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.52 117.28 0.39 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -100.57 115.71 30.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' HIS . 12.2 tt0 -72.01 93.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.7 t-80 -40.13 143.59 0.61 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.588 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.0 -23.53 13.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.463 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 51.2 m -81.68 -39.44 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mm -68.83 -48.38 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.5 t -51.26 -24.81 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -82.55 -44.27 16.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.495 HD11 ' CG2' ' A' ' 63' ' ' VAL . 11.1 mp -59.84 -42.47 93.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -60.08 -23.21 63.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.11 -14.56 30.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.0 mt -94.46 -41.95 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -60.87 -44.64 96.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -61.44 -30.75 70.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.259 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.02 -55.72 13.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.496 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 17.1 m -61.66 -27.07 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -40.76 28.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.76 -12.53 61.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.4 pp -114.56 -6.86 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.59 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 8.5 tt0 -51.01 -46.27 88.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.01 -18.23 18.86 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.788 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -74.89 -16.8 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 m -109.54 -34.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.415 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 55.9 t -62.53 -51.1 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.32 34.86 5.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.556 ' CD2' HD12 ' A' ' 89' ' ' LEU . 24.2 t80 -81.96 159.39 23.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.79 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.404 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -152.64 102.58 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.35 132.82 1.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.418 HD21 ' CB ' ' A' ' 94' ' ' SER . 2.4 mm? -59.95 145.68 45.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 5.8 p -45.87 107.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 41' ' ' SER . 14.3 t0 77.02 81.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.8 26.65 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.87 46.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 179.76 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.574 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 17.6 t80 -65.0 -11.22 36.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -48.89 41.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -51.08 69.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.531 ' CD1' ' CD1' ' A' ' 37' ' ' PHE . 53.1 mt -49.59 -51.21 38.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -67.32 -55.52 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 mmt180 -40.63 -38.88 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.1 mt -56.83 -69.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.458 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . 3.8 mm? -41.68 -64.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -49.74 -52.36 32.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.442 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -53.77 -44.7 70.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.7 mm100 -68.11 -49.25 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.7 tm? -51.4 -56.83 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -47.5 -28.75 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 4.6 mm-40 -78.9 -30.93 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 78' ' ' ALA . 37.5 mt -65.7 -51.94 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.65 -24.25 66.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.33 -30.29 68.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.495 ' CG2' HD11 ' A' ' 20' ' ' LEU . 2.2 t -64.13 107.19 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.37 118.95 8.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.471 HG21 ' CZ ' ' A' ' 75' ' ' ARG . 69.7 p -87.38 -35.53 18.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 54.32 25.5 5.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.86 38.47 41.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -103.49 103.77 13.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.36 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 71' ' ' ILE . . . -45.79 -50.2 11.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -45.42 -26.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' ARG . 44.1 mt -101.95 -55.09 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.58 -27.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -54.29 5.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.417 ' HB1' ' CD2' ' A' ' 20' ' ' LEU . . . -65.4 -56.37 12.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.471 ' CZ ' HG21 ' A' ' 65' ' ' THR . 0.0 OUTLIER -37.57 -71.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -49.74 -47.73 50.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.25 -53.44 35.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.47 ' HB2' ' CD1' ' A' ' 60' ' ' ILE . . . -60.79 -48.21 82.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.58 -35.98 9.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 84' ' ' ARG . 79.1 mt-30 -71.04 -52.87 17.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER -44.25 -63.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.466 ' OG1' ' CG1' ' A' ' 27' ' ' VAL . 0.8 OUTLIER -47.53 -61.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -56.69 -18.59 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 1.6 ttt85 -71.65 -41.3 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 86' ' ' LEU . 5.2 mt -76.51 -48.67 18.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.458 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 1.2 mt -37.93 -42.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -58.76 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -47.94 -48.5 32.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.574 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 33.0 tp -45.78 -57.02 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 2.7 mt-10 -47.78 -59.96 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.04 -62.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -41.33 -33.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 90' ' ' GLU . . . -49.07 -73.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.418 ' CB ' HD21 ' A' ' 40' ' ' LEU . 0.4 OUTLIER 178.13 -38.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.065 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 162.06 153.54 7.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -55.64 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.3 m 65.94 99.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.046 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.6 t -106.22 124.76 50.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.16 163.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.42 166.2 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.11 176.86 47.22 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.72 -60.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 110.006 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.02 117.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.78 132.44 3.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.59 -59.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -153.13 166.22 33.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.42 147.69 46.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.58 114.8 4.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 55.31 98.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -93.19 88.06 5.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.538 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 8.1 t-80 -45.49 144.09 2.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.0 -24.25 13.0 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.468 ' HB3' ' ND1' ' A' ' 14' ' ' HIS . 28.8 t -82.0 -7.11 59.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.481 ' CD1' HG12 ' A' ' 71' ' ' ILE . 6.1 mm -106.46 -35.76 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 t -69.54 -30.97 68.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 0.8 OUTLIER -60.53 -56.83 16.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.519 ' CD2' ' NH2' ' A' ' 75' ' ' ARG . 4.2 mp -52.38 -43.54 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -50.09 -25.86 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.35 -25.13 19.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' LEU . 3.1 mt -83.4 -31.0 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -67.14 -50.58 60.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -24.76 39.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.52 -61.59 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.495 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 18.7 m -57.59 -26.17 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 1.7 mmtp -79.16 -41.4 28.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -8.71 41.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.5 pp -119.83 6.47 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.657 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 34.9 tt0 -68.26 -41.77 26.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -74.96 -1.57 11.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -89.28 -58.96 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.495 ' CG2' HD12 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -62.56 -38.53 81.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 89.4 t -62.11 -48.26 89.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.64 33.33 6.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.117 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.53 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 11.2 t80 -84.06 152.84 24.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.432 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -147.4 101.74 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.43 -140.29 3.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.2 mt -124.75 -178.78 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 p -89.47 115.07 26.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 4.3 m-20 60.34 83.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 3.1 m-20 155.75 170.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 38' ' ' SER . 2.6 tttt 64.06 -103.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 46' ' ' TYR . 4.2 t-20 -113.87 -30.7 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.431 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 5.4 t80 -36.47 -46.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -42.23 -49.9 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -62.08 -57.64 10.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.9 mt -43.3 -56.14 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -58.03 -52.63 64.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.99 -46.28 11.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.8 mt -56.55 -64.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.4 mt -51.6 -56.8 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -48.98 -42.98 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -49.89 66.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -59.42 -46.12 89.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.5 tm? -57.4 -58.62 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -46.9 -28.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.74 -32.55 57.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' LEU . 78.1 mt -60.36 -45.13 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -70.29 -33.93 72.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -58.99 -61.2 2.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.94 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 20' ' ' LEU . 41.8 t -43.74 108.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.414 ' O ' ' OG ' ' A' ' 16' ' ' SER . 33.4 t0 -59.85 159.85 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.451 ' CG2' ' HD2' ' A' ' 75' ' ' ARG . 27.6 p -115.86 -33.86 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 68.64 20.92 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.46 56.81 15.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' ILE . 2.5 mttm -132.87 102.14 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -39.02 -61.74 1.34 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' GLY . 7.2 m-20 -37.42 -35.4 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.481 HG12 ' CD1' ' A' ' 17' ' ' ILE . 7.7 mt -92.49 -59.71 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.52 -44.14 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -53.1 -57.3 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -40.26 -65.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.519 ' NH2' ' CD2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -37.48 -70.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 75' ' ' ARG . 2.8 tttt -39.67 -58.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -53.28 -44.34 68.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.5 -49.27 77.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.24 -56.5 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -51.76 -25.54 7.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.22 -52.61 7.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -65.43 -42.35 92.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -68.88 -17.58 64.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -73.88 -48.64 29.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 34' ' ' VAL . 5.0 mt -67.11 -51.38 54.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -40.1 -38.52 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -63.79 -53.62 48.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' LEU . 1.4 mm-40 -57.53 -27.35 62.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.495 HD12 ' CG2' ' A' ' 34' ' ' VAL . 6.2 tp -56.19 -51.57 67.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.14 -55.8 30.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -55.6 -66.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' GLN . 18.8 m-80 -40.28 -43.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.53 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -41.31 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -175.2 -51.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.53 164.2 5.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -179.29 4.86 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.522 1.801 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.2 t -84.97 -59.05 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.92 -58.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.3 OUTLIER 67.34 -78.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.965 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 2' ' ' SER . 2.1 t 80.2 166.67 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.15 72.48 0.37 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.575 1.172 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -76.98 132.88 39.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.0 121.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.35 162.33 12.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.112 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 mtm -139.59 153.25 47.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 0.74 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.08 121.97 38.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -97.57 166.13 11.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.55 -129.94 20.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.574 1.171 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -81.63 134.81 35.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -88.45 92.03 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.536 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 8.9 t-80 -39.37 143.87 0.5 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.57 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.01 -20.3 16.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.457 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -84.62 -42.07 15.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.9 mm -65.14 -42.86 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.9 t -62.42 -20.16 64.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.967 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.475 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -83.62 -43.43 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.475 HD11 ' CG1' ' A' ' 63' ' ' VAL . 10.3 mp -62.08 -42.59 99.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -55.44 -25.55 36.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.25 -16.39 24.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 19' ' ' ARG . 86.1 mt -92.24 -43.79 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -62.42 -67.13 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 15.8 ptt180 -39.46 -33.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 29' ' ' ALA . 4.0 mm-40 -67.74 -74.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.493 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 4.1 m -47.34 -32.85 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -75.89 -38.88 57.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -69.49 -6.64 31.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.6 pp -121.5 -2.14 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.55 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.5 tt0 -55.77 -48.72 95.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.06 -9.1 20.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.449 1.763 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -21.84 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' CG2' HD22 ' A' ' 85' ' ' LEU . 1.3 m -100.08 -43.01 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.418 ' HA ' ' ND2' ' A' ' 92' ' ' ASN . 87.7 t -64.25 -35.15 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.83 11.87 67.7 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.84 164.38 17.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.63 87.75 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.37 -135.16 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.6 mt -136.05 -176.3 4.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p -93.85 131.3 39.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.046 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.09 67.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.08 -172.11 3.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -84.86 64.02 8.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 173.18 -50.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.57 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 60.0 t80 -58.41 -32.49 68.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -58.45 -60.81 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -41.34 -69.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.401 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 12.9 mt -41.01 -60.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -50.19 -48.16 54.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.404 ' O ' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -48.64 -53.61 17.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.277 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.414 ' CG2' HG12 ' A' ' 30' ' ' ILE . 4.0 mt -43.2 -67.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . 2.7 mm? -47.98 -62.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.488 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -44.17 -54.76 5.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.408 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.488 ' N ' ' CG2' ' A' ' 54' ' ' THR . 2.0 mptt -54.94 -66.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.0 mm-40 -46.3 -48.28 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 1.2 tm? -48.5 -50.07 33.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -54.99 -25.18 28.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -83.25 -31.44 26.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.5 mt -63.09 -44.62 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -67.53 -26.14 66.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.25 -37.73 71.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.475 ' CG1' HD11 ' A' ' 20' ' ' LEU . 57.2 t -50.05 125.63 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -89.56 111.46 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.6 p -81.16 -48.47 12.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.15 32.65 15.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.25 63.07 3.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -112.57 -11.82 13.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 73.88 -62.92 2.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' GLY . 69.8 m-20 -39.97 -52.46 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.529 ' CD1' ' CE1' ' A' ' 14' ' ' HIS . 56.2 mt -77.34 -54.19 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -41.69 -53.51 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -51.82 -42.21 62.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . . . -72.91 -60.44 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -53.69 15.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -60.96 -27.05 67.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -35.35 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.49 -35.73 46.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.44 -15.82 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 84' ' ' ARG . 49.6 mt-30 -94.49 -51.29 4.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.89 -60.48 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -44.93 -61.37 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -58.21 -30.11 66.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 80' ' ' GLN . 4.7 ttt-85 -61.55 -43.91 98.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.447 ' C ' ' N ' ' A' ' 87' ' ' LYS . 5.8 mt -74.79 -50.36 17.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.45 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 1.3 mt -39.48 -30.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' A' ' 85' ' ' LEU . 2.5 mmtt -80.51 -52.2 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 3.7 mm-40 -52.65 -41.97 64.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.57 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 13.8 tp -48.73 -33.58 10.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -79.27 -64.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.44 -31.76 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 35' ' ' VAL . 21.4 m-80 -81.9 -40.57 22.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -41.07 -79.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -174.84 -39.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.54 158.06 49.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 140.84 25.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.9 m -74.31 -69.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 t -69.11 160.02 31.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 p -115.04 162.42 17.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 110.027 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -101.93 170.18 8.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.5 -147.32 8.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.01 160.26 24.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -144.57 156.65 44.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.07 -167.23 32.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -176.32 98.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 0.765 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.18 151.26 3.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -166.58 166.44 16.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.97 -123.58 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -58.5 106.98 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -78.2 98.46 5.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.8 t-80 -44.36 143.34 2.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.635 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.0 -14.68 21.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.438 1.757 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.408 ' HB2' ' ND1' ' A' ' 14' ' ' HIS . 56.5 m -89.17 -32.27 17.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.949 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.2 mm -72.16 -52.99 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.6 t -51.24 -41.05 60.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -63.41 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.5 mt -51.98 -32.51 33.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -73.71 -24.35 59.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -89.48 -19.92 24.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.6 mt -89.88 -35.07 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -64.4 -44.95 89.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -61.96 -25.7 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.323 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.89 -68.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.489 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 13.1 m -47.62 -36.32 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' N ' HG21 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -71.79 -40.62 69.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.9 -16.53 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.0 OUTLIER -112.68 2.43 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.585 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 9.8 tt0 -63.16 -46.39 86.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -75.0 -8.22 19.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -33.27 59.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.518 ' CG2' ' CD1' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -93.39 -34.22 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 46.7 t -65.02 -35.94 76.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.31 25.74 25.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CD2' HD13 ' A' ' 89' ' ' LEU . 66.0 t80 -85.67 130.21 34.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.25 93.63 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.68 -148.75 5.28 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mt -126.28 133.52 51.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.8 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.491 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 0.5 OUTLIER -44.04 110.94 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 110.009 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.03 94.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.23 -161.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -85.82 70.0 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 165.55 -48.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.576 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 2.7 t80 -58.55 -51.42 69.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -41.39 -59.22 1.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' LYS . 5.0 ttt180 -38.76 -52.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 37' ' ' PHE . 8.5 mt -59.96 -64.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -42.92 -45.74 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.17 -52.79 64.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 17.6 mt -51.43 -36.45 17.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.435 ' CD2' HD11 ' A' ' 30' ' ' ILE . 16.9 mt -77.19 -49.74 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -37.81 73.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -55.19 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -65.78 -22.49 66.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.535 ' HA ' HG13 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -75.65 -63.39 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.96 -22.25 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 57' ' ' LEU . 5.2 mm-40 -77.62 -31.92 53.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.535 HG13 ' HA ' ' A' ' 57' ' ' LEU . 2.5 mt -61.14 -51.2 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.94 -25.91 67.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.09 -42.67 69.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.1 t -54.48 114.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.76 152.07 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.4 p -113.51 -25.44 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.433 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 43.45 32.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.83 57.32 9.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' GLY . 25.7 mttm -129.07 90.38 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' LYS . . . -36.42 -56.3 1.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -40.0 -49.18 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' LYS . 96.6 mt -78.98 -57.66 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.92 -54.35 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -52.42 -62.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -48.65 -53.75 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -69.38 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -52.49 -27.02 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 7.1 mtt-85 -75.14 -30.11 60.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -82.26 -35.65 27.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -61.66 -28.4 69.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -78.85 -44.17 23.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.45 -47.52 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -59.12 -36.27 74.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 11.1 mm-40 -73.27 -44.94 58.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -59.75 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.518 ' CD1' ' CG2' ' A' ' 34' ' ' VAL . 3.3 mm? -50.23 -46.05 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -52.29 -31.55 33.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -81.9 -52.36 7.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -45.06 -38.7 5.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.576 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 27.8 tp -60.81 -63.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.21 -29.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 89' ' ' LEU . 22.1 tp60 -89.93 -57.93 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 35' ' ' VAL . 37.5 m-80 -49.79 -26.62 4.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.3 -78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 95' ' ' GLY . 8.9 p -171.08 -41.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' SER . . . 36.94 -145.98 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.571 1.169 . . . . 0.0 111.047 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.33 14.7 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.3 m -157.81 134.67 9.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.7 p -126.43 111.5 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.043 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.453 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 12.8 t-80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.453 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.03 -5.63 17.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.59 ' HB2' HD13 ' A' ' 71' ' ' ILE . 50.1 m -99.06 -34.2 10.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.9 mm -68.57 -55.04 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -53.06 -43.26 66.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -56.35 -62.41 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' GLN . 32.5 mt -50.53 -36.57 34.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -71.41 -24.5 62.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.5 mt-10 -92.66 -15.59 26.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' A' ' 56' ' ' GLN . 2.7 mt -101.34 -30.26 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.469 ' O ' HG22 ' A' ' 27' ' ' VAL . 2.8 mt-30 -68.75 -52.78 26.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -54.89 -21.52 11.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -76.5 -57.71 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.496 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 17.6 m -60.37 -31.19 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -41.45 34.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -70.25 -13.07 62.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.6 pp -115.19 -5.84 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 12.8 tt0 -52.35 -45.52 94.84 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.0 -31.95 5.78 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -57.46 -24.21 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.454 ' HB ' HD12 ' A' ' 85' ' ' LEU . 86.6 t -94.26 -49.85 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 31' ' ' GLU . 74.1 t -59.4 -33.74 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.19 19.01 55.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.448 ' CG ' ' N ' ' A' ' 38' ' ' SER . 41.8 t80 -73.51 168.83 18.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 0.772 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.448 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -165.28 83.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' ALA . . . -168.26 143.17 7.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 94' ' ' SER . 1.1 mm? -58.22 164.33 2.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 46' ' ' TYR . 7.0 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.475 0.179 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -64.42 -59.18 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -43.11 -62.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.762 ' HA ' HD12 ' A' ' 52' ' ' ILE . 14.3 mt -43.69 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.486 ' HG3' HD21 ' A' ' 86' ' ' LEU . 2.5 tt0 -48.89 -53.4 19.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.433 ' O ' HG22 ' A' ' 54' ' ' THR . 0.9 OUTLIER -45.16 -48.98 12.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 49' ' ' LEU . 19.1 mt -51.35 -64.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 30' ' ' ILE . 41.4 mt -51.42 -52.08 49.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -53.59 -38.72 64.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.432 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -52.52 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.481 ' HB3' HG23 ' A' ' 23' ' ' ILE . 78.2 mm-40 -55.79 -47.31 77.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.252 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.3 tm? -55.08 -57.56 11.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.479 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -47.34 -28.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -78.52 -32.21 47.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 57' ' ' LEU . 47.6 mt -62.24 -49.08 85.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.52 -25.13 67.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.91 -24.77 55.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 t -71.04 115.01 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -78.5 151.5 32.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.1 p -110.23 -50.93 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.22 20.7 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.59 53.88 4.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 71' ' ' ILE . 32.4 mttm -126.64 92.23 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -37.14 -58.21 1.28 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' GLY . 6.3 m-20 -39.02 -44.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.59 HD13 ' HB2' ' A' ' 16' ' ' SER . 96.0 mt -84.77 -57.87 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.23 -49.39 2.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -61.29 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -49.12 -61.43 2.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -42.54 -69.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -50.89 -35.75 34.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -69.59 -23.83 63.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -93.3 -28.1 16.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.3 83.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -83.58 -39.83 19.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -54.6 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.591 HG21 ' HB2' ' A' ' 57' ' ' LEU . 94.6 m -51.08 -61.05 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.368 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -49.65 -44.92 47.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -62.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.496 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 3.1 mm? -51.51 -52.13 49.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.486 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.8 OUTLIER -42.28 -50.89 4.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -56.22 -51.97 66.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' LEU . 3.8 mm-40 -46.19 -55.0 7.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' GLU . 31.6 tp -39.5 -64.65 0.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' LEU . 1.5 mt-10 -38.41 -41.97 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.259 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.96 -60.77 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -44.56 -35.0 2.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 39' ' ' GLY . . . -44.01 -75.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.491 ' HB2' HD22 ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.997 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.629 ' CE1' HD11 ' A' ' 71' ' ' ILE . 9.5 t-80 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -75.02 -15.37 20.73 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.62 ' HB3' HG13 ' A' ' 63' ' ' VAL . 4.4 m -87.86 -41.53 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -66.49 -49.18 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.3 t -54.49 -21.82 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.698 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -84.87 -59.01 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.0 HD11 HG11 ' A' ' 63' ' ' VAL . 11.0 mp -49.08 -49.51 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -46.32 -33.54 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -32.19 28.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.698 HD12 ' HG3' ' A' ' 19' ' ' ARG . 12.0 mt -74.0 -40.55 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -59.75 -60.78 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -48.03 -30.83 4.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ALA . 4.7 mm-40 -71.76 -72.6 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.505 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 9.7 m -45.78 -29.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -79.64 -41.25 27.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' GLU . . . -69.34 -13.81 62.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.505 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.9 pp -113.3 -3.16 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.629 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 21.1 tt0 -55.88 -44.19 99.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.01 -27.85 9.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.432 ' OE1' HG22 ' A' ' 30' ' ' ILE . 57.5 mt-30 -62.41 -21.21 65.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.618 HG22 HD13 ' A' ' 89' ' ' LEU . 54.0 t -97.26 -47.59 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 31' ' ' GLU . 81.6 t -61.82 -38.1 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.34 26.62 23.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 38' ' ' SER . 37.6 t80 -77.47 173.78 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 52.9 p -174.76 79.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.45 -135.28 2.45 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.518 ' C ' ' HB1' ' A' ' 93' ' ' ALA . 8.6 mt -123.28 157.29 33.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 0.774 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.601 ' O ' ' CE2' ' A' ' 46' ' ' TYR . 5.0 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 41' ' ' SER . 7.8 t80 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.477 0.179 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' TYR . 40.5 mmtt -39.07 -63.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.39 -57.63 5.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.9 ' HA ' HD12 ' A' ' 52' ' ' ILE . 10.7 mt -50.76 -64.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -45.45 -52.43 10.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' NH1' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -50.34 -49.59 53.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.9 HD12 ' HA ' ' A' ' 49' ' ' LEU . 12.5 mt -49.12 -57.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.7 mt -59.78 -52.65 64.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -49.87 -51.44 40.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.42 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.95 -62.26 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.464 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 9.6 mm-40 -48.19 -47.35 35.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 58' ' ' PHE . 1.3 tm? -54.71 -56.67 16.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.48 ' N ' HD13 ' A' ' 57' ' ' LEU . 4.3 t80 -47.8 -27.6 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 63' ' ' VAL . 2.1 mm-40 -79.1 -31.38 44.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' LEU . 65.3 mt -62.69 -42.59 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.7 -24.84 59.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -28.23 58.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 1.0 HG11 HD11 ' A' ' 20' ' ' LEU . 37.3 t -72.7 116.42 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.27 137.87 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.726 HG21 ' HA ' ' A' ' 72' ' ' GLN . 28.1 p -93.49 -45.62 7.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.98 41.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.9 60.12 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -110.23 -27.37 9.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.99 -61.87 2.23 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -41.12 -57.91 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.678 HG22 HG22 ' A' ' 65' ' ' THR . 12.2 mt -72.2 -54.41 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.726 ' HA ' HG21 ' A' ' 65' ' ' THR . 0.0 OUTLIER -39.88 -44.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -66.96 -57.0 7.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -55.38 -68.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.435 ' HG2' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -38.33 -64.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.24 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -40.26 -59.33 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -54.47 -48.99 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.43 -51.8 61.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.03 -39.47 55.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -74.99 -44.51 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -51.99 67.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 57' ' ' LEU . 99.5 m -54.01 -55.66 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.403 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.75 -55.11 33.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.95 -53.79 1.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 2.8 mm? -57.89 -53.66 55.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.57 -47.02 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -54.61 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -40.8 -45.11 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.618 HD13 HG22 ' A' ' 34' ' ' VAL . 7.6 tp -47.85 -56.07 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 19.6 mt-10 -42.11 -58.76 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -65.55 -60.87 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -40.38 -42.39 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.541 ' HB1' ' N ' ' A' ' 41' ' ' SER . . . -39.85 -78.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.541 ' CE1' HD11 ' A' ' 71' ' ' ILE . 8.3 t-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -26.97 10.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.3 m -78.07 -43.04 30.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.401 ' CD1' HG12 ' A' ' 71' ' ' ILE . 17.2 mm -65.14 -51.54 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.2 t -58.81 -20.14 47.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -82.7 -52.86 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.478 HD11 ' CA ' ' A' ' 75' ' ' ARG . 5.9 mt -58.23 -40.29 81.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -56.31 -33.99 66.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -78.16 -38.38 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.263 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.509 ' O ' HG13 ' A' ' 27' ' ' VAL . 3.7 mt -68.08 -41.28 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -48.15 -25.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 5.0 mm-40 -73.75 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 23' ' ' ILE . 9.7 m -59.19 -38.8 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -34.48 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.77 -2.34 23.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.69 HD11 HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -111.02 -14.22 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.609 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 19.6 tt0 -53.85 -44.68 98.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.97 -27.85 9.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.81 ' HB3' HD21 ' A' ' 49' ' ' LEU . 14.4 mt-30 -67.57 -20.36 65.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.698 HG23 HD23 ' A' ' 49' ' ' LEU . 42.8 t -93.91 -44.08 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 31' ' ' GLU . 88.8 t -65.4 -40.51 88.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.52 23.36 36.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CD2' HD12 ' A' ' 89' ' ' LEU . 11.3 t80 -74.11 152.9 39.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.13 85.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 93' ' ' ALA . . . 176.32 150.93 8.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mt -52.36 175.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.454 ' HA ' ' CE2' ' A' ' 46' ' ' TYR . 1.6 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.964 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.454 ' CE2' ' HA ' ' A' ' 41' ' ' SER . 13.4 t80 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.524 0.202 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -46.21 -62.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -38.88 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.81 HD21 ' HB3' ' A' ' 33' ' ' GLN . 7.8 mp -39.31 -64.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -45.34 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.432 ' O ' HG22 ' A' ' 54' ' ' THR . 23.4 mmt180 -44.4 -47.13 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.0 mt -55.25 -47.56 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.84 HD13 ' HG ' ' A' ' 86' ' ' LEU . 16.2 mt -65.88 -44.48 85.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -63.28 -34.45 77.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 51' ' ' ARG . 3.7 mptt -74.72 -54.74 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -59.92 -44.31 94.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.717 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.3 tm? -54.23 -56.77 15.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.522 ' N ' HD13 ' A' ' 57' ' ' LEU . 10.1 t80 -47.94 -27.55 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.14 -30.88 43.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' LEU . 58.2 mt -63.11 -43.99 99.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.22 -23.44 62.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -77.31 -31.53 54.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.4 t -64.01 111.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -74.88 150.36 39.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.3 p -115.55 -38.02 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.0 42.1 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.9 65.98 0.84 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -113.16 -36.45 5.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.47 -61.78 0.74 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -40.38 -49.83 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.756 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.541 HD11 ' CE1' ' A' ' 14' ' ' HIS . 37.8 mt -81.07 -54.06 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -40.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -50.42 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' ARG . . . -65.31 -64.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.478 ' CA ' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -37.94 -64.72 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -53.35 -40.6 65.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -66.23 -18.44 65.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.43 ' O ' HD13 ' A' ' 60' ' ' ILE . . . -98.47 -17.96 18.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.35 -32.25 60.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -87.59 -33.14 18.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.61 -52.13 66.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.717 HG21 ' HB2' ' A' ' 57' ' ' LEU . 1.1 m -59.84 -50.63 73.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.17 -47.32 86.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -47.15 -49.51 22.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.455 HD11 ' HG3' ' A' ' 31' ' ' GLU . 4.0 mm? -65.7 -43.52 88.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.84 ' HG ' HD13 ' A' ' 53' ' ' LEU . 4.2 mt -51.01 -43.99 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -58.17 -59.54 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -47.47 -49.83 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.597 HD12 ' CD2' ' A' ' 37' ' ' PHE . 48.6 tp -40.51 -71.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.573 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 39.7 mt-10 -39.78 -40.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.74 -64.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -50.95 -24.7 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -41.09 -72.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 16.4 t-80 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.03 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.64 ' HB2' HD13 ' A' ' 71' ' ' ILE . 21.1 m -102.43 -29.88 11.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.046 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' CD1' HG12 ' A' ' 71' ' ' ILE . 20.1 mm -74.66 -46.2 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.5 t -62.25 -40.6 96.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -59.29 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.3 mt -52.96 -37.12 60.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -64.84 -20.54 66.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.58 -10.08 22.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mt -99.47 -35.52 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.407 ' O ' HG22 ' A' ' 27' ' ' VAL . 60.4 mt-30 -67.98 -49.79 59.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -56.84 -22.75 38.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 30' ' ' ILE . 3.5 mm-40 -74.49 -56.87 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.914 HG11 ' OG1' ' A' ' 82' ' ' THR . 19.1 m -62.81 -30.56 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -75.97 -41.11 52.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.92 -13.71 62.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.506 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.1 pp -116.15 -1.5 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.9 tt0 -57.48 -47.12 99.54 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.01 -13.4 21.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -71.65 -28.38 63.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.51 HG22 ' CD2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -95.75 -41.48 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 31' ' ' GLU . 63.0 t -62.56 -34.14 63.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.14 22.43 39.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CG ' ' N ' ' A' ' 38' ' ' SER . 59.6 t80 -79.01 171.79 14.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.515 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -168.31 92.77 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.5 -135.16 1.77 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -139.6 149.15 43.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.573 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 6.0 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.456 0.17 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -51.82 -50.86 60.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.678 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -50.69 -60.0 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.615 ' HB2' HD21 ' A' ' 89' ' ' LEU . 75.6 mt -47.63 -63.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.455 ' OE1' ' CD2' ' A' ' 86' ' ' LEU . 3.0 tt0 -47.73 -43.85 27.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.07 -58.37 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.678 HD12 ' O ' ' A' ' 48' ' ' ARG . 2.7 mp -48.14 -41.9 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.83 -56.68 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.356 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -42.06 64.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -62.99 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -46.32 -45.21 17.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.561 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -54.52 -56.81 15.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.502 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -47.91 -27.59 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.941 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -79.07 -31.1 44.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 57' ' ' LEU . 68.0 mt -62.18 -41.63 92.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -72.12 -25.26 61.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -16.12 61.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.066 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.9 t -78.78 116.86 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -78.76 160.78 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.1 p -122.14 -52.65 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.62 26.34 5.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.56 56.24 4.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' ILE . 26.8 mttm -130.28 91.64 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -40.22 -58.41 2.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' GLY . 80.0 m-20 -38.48 -35.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.64 HD13 ' HB2' ' A' ' 16' ' ' SER . 72.7 mt -94.12 -56.85 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.85 -43.16 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -62.26 -60.52 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -50.04 -58.11 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -63.55 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -57.16 -21.63 34.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -83.96 -24.92 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -90.15 -28.18 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.73 -14.44 62.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -99.1 -45.13 6.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -55.35 27.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.914 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.3 m -54.71 -54.4 42.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.97 -24.94 63.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -49.69 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 31' ' ' GLU . 3.0 mt -59.49 -47.11 86.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.455 ' CD2' ' OE1' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -45.75 -27.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -43.69 15.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 85' ' ' LEU . 6.1 mm-40 -60.65 -41.24 94.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 49' ' ' LEU . 8.4 tp -59.05 -51.53 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -35.62 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 110.332 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -59.67 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -52.54 -33.22 44.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -45.09 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.505 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.1 t-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.505 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.03 -16.44 20.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.463 ' HB3' HD13 ' A' ' 71' ' ' ILE . 5.3 t -90.78 -17.54 26.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.3 mm -92.46 -55.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 t -52.34 -22.14 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.437 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -79.26 -46.29 18.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -62.33 -44.13 97.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -51.63 -34.6 38.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -30.41 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.437 HD12 ' O ' ' A' ' 19' ' ' ARG . 2.6 mt -79.26 -37.21 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -65.29 -57.39 8.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 10.0 ptp180 -49.63 -27.89 5.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -72.64 -70.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.503 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 6.3 m -50.54 -31.14 8.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -36.11 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . -72.43 -5.22 35.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.653 HD11 HD21 ' A' ' 53' ' ' LEU . 2.8 pp -123.9 5.51 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.726 ' HG3' HD21 ' A' ' 85' ' ' LEU . 26.2 tt0 -68.99 -42.87 24.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.0 -0.7 10.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -88.59 -53.48 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.775 HG23 ' HA ' ' A' ' 89' ' ' LEU . 1.2 p -62.7 -39.52 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 31' ' ' GLU . 85.3 t -58.14 -46.47 88.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.16 34.23 5.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.578 ' CD1' HD12 ' A' ' 49' ' ' LEU . 15.4 t80 -87.0 158.78 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.04 102.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.76 41.39 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 111.041 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt 50.42 -178.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.1 t80 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.526 0.203 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -47.84 -65.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -67.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.805 ' HA ' HD12 ' A' ' 52' ' ' ILE . 74.8 mt -43.61 -65.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.442 ' HG3' HD21 ' A' ' 86' ' ' LEU . 3.0 tt0 -45.1 -51.7 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -56.55 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.805 HD12 ' HA ' ' A' ' 49' ' ' LEU . 11.5 mt -41.21 -43.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.653 HD21 HD11 ' A' ' 30' ' ' ILE . 69.9 mt -71.09 -54.52 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.91 -40.5 57.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.09 . . . . 0.0 110.359 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -67.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -44.84 -45.59 10.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.558 HD13 ' N ' ' A' ' 58' ' ' PHE . 1.1 tm? -53.87 -57.25 11.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.558 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -47.78 -27.65 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.49 -31.6 42.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.6 mt -63.24 -50.07 80.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -61.0 -25.21 66.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -47.11 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -45.48 115.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.6 164.15 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.5 p -129.55 -54.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.1 33.68 2.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.6 63.92 2.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -110.66 -29.53 7.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.746 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.2 -64.4 2.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.148 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -39.82 -42.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 0.739 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.463 HD13 ' HB3' ' A' ' 16' ' ' SER . 15.7 mt -89.67 -51.05 12.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.67 -30.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -54.24 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -59.41 -57.16 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HG2' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -48.59 -62.51 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -56.1 -26.28 49.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -79.7 -24.99 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -91.15 -27.68 18.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -18.51 63.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -96.97 -43.08 7.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -60.13 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.442 HG21 ' HB2' ' A' ' 57' ' ' LEU . 3.1 m -48.23 -58.7 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.369 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -56.62 -29.25 61.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -42.56 99.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.752 HD22 ' CG1' ' A' ' 34' ' ' VAL . 8.2 mt -75.09 -51.4 13.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.442 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -40.04 -32.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 85' ' ' LEU . 8.4 mmtm -69.13 -55.71 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.0 mm-40 -55.64 -28.77 57.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.775 ' HA ' HG23 ' A' ' 34' ' ' VAL . 5.1 tp -54.26 -58.63 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.739 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -48.88 -54.84 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -66.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 88' ' ' GLU . 19.0 m-80 -40.95 -37.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -40.25 -73.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.99 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.487 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.5 t-80 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.487 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.97 -5.07 16.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.529 ' HB2' HD13 ' A' ' 71' ' ' ILE . 41.3 m -96.12 -29.29 14.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.966 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.515 HD11 HG12 ' A' ' 71' ' ' ILE . 24.2 mm -76.25 -48.78 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.0 t -58.32 -19.04 31.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.404 ' HG3' HD12 ' A' ' 23' ' ' ILE . 5.7 tpp180 -81.78 -58.35 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.09 -33.66 53.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -63.45 -28.74 70.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.56 -12.77 38.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.566 HG23 ' OE1' ' A' ' 56' ' ' GLN . 67.9 mt -98.24 -40.57 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.69 -46.35 88.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -23.97 64.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -77.19 -64.33 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.621 HG11 ' OG1' ' A' ' 82' ' ' THR . 13.0 m -54.76 -28.42 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -39.99 38.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.39 -10.56 58.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.673 HD11 HD21 ' A' ' 53' ' ' LEU . 2.5 pp -117.92 7.87 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.7 ' HG3' HD21 ' A' ' 85' ' ' LEU . 28.2 tt0 -70.08 -42.88 18.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.02 0.62 8.7 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -88.59 -55.57 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.8 ' CG1' HD22 ' A' ' 85' ' ' LEU . 1.1 p -64.46 -39.16 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 31' ' ' GLU . 79.6 t -63.56 -39.78 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.51 28.61 12.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 9.0 t80 -84.32 146.49 27.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 111.055 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.404 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -143.54 113.04 6.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.08 -127.07 1.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.561 ' C ' ' HB1' ' A' ' 93' ' ' ALA . 6.8 mt -133.38 -174.55 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.429 ' O ' ' CE1' ' A' ' 46' ' ' TYR . 50.2 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CE1' ' O ' ' A' ' 41' ' ' SER . 44.0 t80 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.515 0.197 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -50.05 -53.04 29.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -68.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.566 ' HA ' HD12 ' A' ' 52' ' ' ILE . 17.1 mt -42.44 -54.82 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.679 ' HG3' HD21 ' A' ' 86' ' ' LEU . 24.4 tt0 -55.83 -51.71 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 16.6 mmt85 -52.02 -39.66 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.356 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 49' ' ' LEU . 46.0 mt -63.19 -53.58 44.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.673 HD21 HD11 ' A' ' 30' ' ' ILE . 75.5 mt -61.58 -51.91 66.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -46.67 85.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -63.07 -45.97 89.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.566 ' OE1' HG23 ' A' ' 23' ' ' ILE . 9.2 mm-40 -61.29 -51.53 68.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.486 ' C ' HD13 ' A' ' 57' ' ' LEU . 1.1 tm? -51.76 -52.91 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.447 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -51.7 -26.47 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HG3' ' CE ' ' A' ' 55' ' ' LYS . 1.3 mm-40 -81.12 -31.64 34.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.4 mt -61.8 -44.34 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -65.09 -25.53 67.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -36.21 68.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.0 t -58.95 117.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.69 148.64 33.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.9 p -106.96 -48.88 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.449 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.08 27.4 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.38 56.9 10.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' ILE . 3.5 mttm -131.33 93.87 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.265 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -37.81 -57.92 1.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' GLY . 12.8 m-20 -36.79 -40.9 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.529 HD13 ' HB2' ' A' ' 16' ' ' SER . 83.0 mt -89.34 -59.94 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -40.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 4.6 mt-30 -65.09 -56.99 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.06 -52.23 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -69.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -51.06 -31.83 19.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -68.17 -35.61 78.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.11 -39.54 23.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -55.59 -27.64 50.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 84' ' ' ARG . 44.9 mt-30 -89.56 -46.75 8.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -62.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.244 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.621 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.4 m -51.26 -40.84 59.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 9.2 mm-40 -73.7 -21.9 60.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -71.47 -46.75 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.8 HD22 ' CG1' ' A' ' 34' ' ' VAL . 6.0 mt -66.71 -50.47 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.679 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -43.83 -38.42 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -60.08 -46.45 89.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 1.1 mm-40 -63.72 -41.13 98.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.252 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.65 ' HA ' HG23 ' A' ' 34' ' ' VAL . 6.9 tp -45.43 -36.88 4.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -68.77 -48.12 64.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.6 -62.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -42.06 -39.78 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.561 ' HB1' ' C ' ' A' ' 40' ' ' LEU . . . -40.38 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.555 ' CE1' HD11 ' A' ' 71' ' ' ILE . 18.0 t-80 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.05 -13.37 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.509 ' HB3' HG13 ' A' ' 63' ' ' VAL . 19.5 m -93.97 -23.79 17.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 mm -85.2 -40.01 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -59.5 -24.35 63.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 110.068 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.574 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -77.81 -49.64 13.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.545 ' HG ' HG21 ' A' ' 63' ' ' VAL . 7.0 mt -55.71 -40.46 72.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -58.1 -28.14 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.94 -21.62 27.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.574 HD12 ' HG3' ' A' ' 19' ' ' ARG . 8.9 mt -87.54 -37.46 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -64.15 -55.25 23.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 10.1 ptm180 -52.11 -23.64 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.76 -67.38 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.487 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 9.1 m -53.69 -30.11 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -77.57 -40.96 40.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . -68.36 -9.92 51.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.594 HD11 ' CD2' ' A' ' 53' ' ' LEU . 2.6 pp -118.97 3.97 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.756 ' HG3' HD21 ' A' ' 85' ' ' LEU . 21.3 tt0 -64.19 -43.28 73.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.0 0.79 8.48 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' HD13 ' A' ' 49' ' ' LEU . 12.3 mt-30 -94.52 -9.64 34.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.789 HG13 HD22 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -118.93 -38.89 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.52 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 63.1 t -58.53 -54.09 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.73 38.96 2.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 38' ' ' SER . 66.1 t80 -86.96 162.31 17.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.417 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -152.68 123.75 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 156.82 -149.75 20.66 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -109.64 179.07 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.572 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 5.6 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 41' ' ' SER . 63.5 t80 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.494 0.187 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -64.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.405 ' O ' HD12 ' A' ' 52' ' ' ILE . 9.6 ttp180 -44.92 -53.95 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.594 HD12 HD11 ' A' ' 89' ' ' LEU . 19.9 mt -44.96 -53.0 8.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.652 ' HG3' HD21 ' A' ' 86' ' ' LEU . 5.2 tt0 -67.78 -52.09 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -43.93 -42.45 5.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 48' ' ' ARG . 8.4 mt -62.88 -58.71 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.594 ' CD2' HD11 ' A' ' 30' ' ' ILE . 98.3 mt -53.44 -58.15 8.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.72 -43.44 65.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 36.4 tptt -64.28 -64.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 30.2 mm100 -46.13 -43.51 15.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.515 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.1 tm? -52.16 -56.66 13.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.508 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -48.03 -28.25 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 3.7 mm-40 -78.94 -30.46 44.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.457 HG23 HD21 ' A' ' 20' ' ' LEU . 63.7 mt -62.99 -44.25 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -68.79 -30.73 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -39.16 83.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.545 HG21 ' HG ' ' A' ' 20' ' ' LEU . 8.3 t -54.65 111.26 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -66.03 127.87 33.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.582 HG22 HG22 ' A' ' 71' ' ' ILE . 58.3 p -97.3 -47.82 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.37 41.01 20.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.7 49.24 2.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -91.53 -46.19 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 71' ' ' ILE . . . 114.26 -62.25 0.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -43.29 -28.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.582 HG22 HG22 ' A' ' 65' ' ' THR . 26.0 mt -100.74 -51.09 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -24.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -53.13 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -67.1 -57.87 5.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -37.69 -71.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 77' ' ' ARG . 14.3 pttp -49.06 -50.69 35.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 76' ' ' LYS . 15.2 mmt180 -50.4 -43.52 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -72.37 -48.04 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.42 -41.68 52.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -70.57 -46.26 63.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -50.49 63.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.515 HG21 ' HB2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -62.64 -55.71 24.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.393 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -53.77 -28.89 37.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -62.42 -54.55 38.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.789 HD22 HG13 ' A' ' 34' ' ' VAL . 4.2 mt -61.71 -40.43 94.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.652 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -52.63 -22.03 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.91 -39.8 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.59 -45.3 93.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.763 HD13 ' HB ' ' A' ' 34' ' ' VAL . 11.5 tp -42.07 -61.99 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 9.9 mt-10 -43.54 -63.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -53.1 -60.69 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -42.7 -51.78 5.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -41.03 -82.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 13.9 t-80 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.0 -1.83 11.74 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.1 m -101.06 -39.64 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mm -62.68 -53.48 46.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.0 t -52.85 -43.66 66.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -57.73 11.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.9 mt -53.01 -39.47 63.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -67.29 -32.47 73.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.01 -23.46 41.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.8 mt -90.52 -39.53 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.414 ' O ' HG22 ' A' ' 27' ' ' VAL . 6.1 mt-30 -61.42 -50.5 72.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -55.86 -31.96 63.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.88 -60.47 2.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.489 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 11.3 m -59.78 -28.84 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -77.23 -40.12 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.64 -11.07 59.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.6 pp -117.81 4.6 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.78 ' O ' HG23 ' A' ' 35' ' ' VAL . 21.0 tt0 -64.94 -42.22 60.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.0 -0.35 9.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.666 ' C ' HD21 ' A' ' 49' ' ' LEU . 9.4 mt-30 -94.02 -10.39 33.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.72 ' HB ' HD13 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -114.16 -32.65 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 31' ' ' GLU . 63.8 t -61.61 -43.32 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.62 31.93 7.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.424 ' HE2' ' HB2' ' A' ' 93' ' ' ALA . 27.2 t80 -85.65 152.8 22.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.59 117.98 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.05 144.9 4.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD23 ' OG ' ' A' ' 94' ' ' SER . 9.1 mt -44.71 165.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.57 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 78.2 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.57 ' CD2' ' HA ' ' A' ' 41' ' ' SER . 52.2 t80 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.516 0.198 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -44.92 -67.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -40.25 -67.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.666 HD21 ' C ' ' A' ' 33' ' ' GLN . 2.9 mp -40.03 -66.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.54 -53.78 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.459 ' O ' HG22 ' A' ' 54' ' ' THR . 0.5 OUTLIER -51.46 -55.86 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.5 mt -48.78 -57.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.467 HD22 HG23 ' A' ' 82' ' ' THR . 35.6 mt -54.27 -58.46 7.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -51.31 -34.33 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.374 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -74.14 -55.01 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -53.97 -47.14 71.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.579 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -55.03 -57.68 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.523 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.9 t80 -47.53 -27.14 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.77 -32.62 40.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.0 mt -62.33 -51.25 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -60.05 -24.84 64.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.52 -30.27 57.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.61 114.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -74.81 151.99 39.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.3 p -110.56 -36.88 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 59.75 25.09 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.88 56.7 10.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -129.46 100.85 5.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -38.38 -56.8 1.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' GLY . 21.8 m-20 -38.7 -55.59 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.421 HD11 ' CE1' ' A' ' 14' ' ' HIS . 78.3 mt -73.57 -58.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -37.52 -54.11 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.34 -59.48 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -50.56 -61.7 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -44.88 -69.66 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -48.83 -40.41 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -64.94 -28.65 69.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -86.77 -36.75 18.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.92 -18.55 45.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' ARG . 94.4 mt-30 -99.86 -49.57 4.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.84 -52.69 10.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.579 HG21 ' HB2' ' A' ' 57' ' ' LEU . 2.8 m -58.13 -60.57 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -58.01 -16.31 12.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -74.2 -46.52 41.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.714 HD22 ' CG1' ' A' ' 34' ' ' VAL . 5.2 mt -70.09 -43.72 70.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.409 ' HG ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -40.08 -38.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -62.25 -68.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -39.47 -41.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 110.293 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.72 HD13 ' HB ' ' A' ' 34' ' ' VAL . 10.2 tp -49.7 -47.98 50.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.717 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 2.6 tt0 -71.28 -54.74 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.14 -56.26 6.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' ALA . 4.8 m-20 -58.77 -40.69 84.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -40.2 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.467 ' OG ' HD23 ' A' ' 40' ' ' LEU . 21.5 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.64 ' CE1' HD11 ' A' ' 71' ' ' ILE . 10.9 t-80 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.06 -18.38 18.65 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.447 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 54.5 m -90.76 -42.6 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 mm -72.06 -47.31 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -59.04 -28.36 66.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 4.0 tpp180 -63.02 -59.67 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.604 HD12 ' NH2' ' A' ' 75' ' ' ARG . 12.5 mt -48.5 -38.04 19.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -63.82 -29.56 70.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' ARG . 8.0 tt0 -86.88 -12.97 46.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLU . 2.2 mt -99.4 -54.87 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -45.78 -41.01 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.23 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -64.18 -32.83 74.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' ILE . 3.4 mm-40 -71.73 -62.36 1.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.489 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 15.7 m -53.49 -32.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -76.94 -40.29 47.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.22 -11.1 60.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.3 pp -118.68 -1.21 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.668 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.2 tt0 -59.37 -46.67 98.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.05 -10.3 21.07 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.439 1.757 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -79.97 -15.99 56.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.691 ' CG2' HD12 ' A' ' 85' ' ' LEU . 1.5 m -109.43 -34.99 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 31' ' ' GLU . 81.7 t -62.47 -45.37 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.2 31.97 8.09 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 38' ' ' SER . 9.2 t80 -84.53 154.03 22.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.475 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 36.9 m -146.67 107.79 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.422 ' O ' ' CZ ' ' A' ' 37' ' ' PHE . . . 157.02 139.32 2.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.52 177.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.406 ' HA ' ' CG ' ' A' ' 46' ' ' TYR . 32.8 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.53 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 28.8 t80 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.502 0.191 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -65.62 -47.42 75.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -54.57 -49.35 70.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.4 mt -60.64 -64.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -49.46 -54.86 15.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -44.37 -51.42 8.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.423 HD12 ' O ' ' A' ' 48' ' ' ARG . 19.0 mt -50.38 -62.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' CD2' HD11 ' A' ' 30' ' ' ILE . 58.7 mt -53.89 -56.26 19.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -48.11 -49.36 32.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.451 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.432 ' N ' HG22 ' A' ' 54' ' ' THR . 0.3 OUTLIER -61.59 -57.83 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -51.2 -50.57 58.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.643 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -53.55 -60.95 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.529 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.8 t80 -46.67 -30.51 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.22 -31.34 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.522 HG23 ' HG3' ' A' ' 75' ' ' ARG . 39.7 mt -62.19 -49.29 84.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -69.93 -35.36 74.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -58.98 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 19' ' ' ARG . 18.5 t -40.76 115.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -59.6 165.81 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.537 HG22 HG22 ' A' ' 71' ' ' ILE . 45.5 p -136.67 -48.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.93 43.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.12 64.19 0.83 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -110.42 -21.05 12.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 80.21 -67.48 3.46 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' GLY . 28.4 m-20 -39.14 -36.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.64 HD11 ' CE1' ' A' ' 14' ' ' HIS . 94.9 mt -92.7 -53.17 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.64 -48.2 28.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.255 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -52.77 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.96 -55.85 17.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.604 ' NH2' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.32 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.295 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 75' ' ' ARG . 17.4 ptmt -39.69 -38.44 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -47.98 63.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.535 ' CB ' HD22 ' A' ' 20' ' ' LEU . . . -66.25 -47.84 72.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.04 -53.74 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -54.03 -49.22 69.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.34 -61.77 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.643 HG21 ' HB2' ' A' ' 57' ' ' LEU . 47.1 m -44.84 -61.01 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.69 -50.1 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.22 -52.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.691 HD12 ' CG2' ' A' ' 34' ' ' VAL . 1.4 mm? -63.89 -55.1 25.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.32 -49.02 2.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -61.02 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' ASN . 3.0 mm-40 -46.99 -53.0 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.53 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 46.8 tp -41.17 -60.54 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.766 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 8.0 mt-10 -42.83 -59.56 1.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 93' ' ' ALA . 1.7 mm-40 -60.48 -64.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' GLU . 4.3 m-80 -39.98 -31.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -51.68 -72.43 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.509 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.2 t-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.99 -18.93 18.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.425 ' HB2' HD13 ' A' ' 71' ' ' ILE . 8.5 m -87.21 -32.53 19.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 mm -75.5 -51.03 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.7 t -56.65 -18.36 11.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.627 ' HG3' HD12 ' A' ' 23' ' ' ILE . 2.9 tpp180 -84.45 -59.38 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 110.357 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -49.41 -43.74 44.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -52.62 -30.62 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.59 -29.71 25.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.627 HD12 ' HG3' ' A' ' 19' ' ' ARG . 7.6 mt -77.44 -35.24 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' O ' HG22 ' A' ' 27' ' ' VAL . 2.7 mm-40 -67.92 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 8.6 ptm180 -45.42 -25.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.05 -67.03 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.667 HG11 ' OG1' ' A' ' 82' ' ' THR . 14.6 m -51.86 -29.69 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -80.21 -41.27 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -71.59 -3.92 24.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.0 pp -124.27 0.08 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.948 ' HG3' HD11 ' A' ' 85' ' ' LEU . 8.1 tt0 -62.49 -45.26 89.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.97 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.807 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -87.4 -20.59 26.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.621 HG22 HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -101.59 -36.58 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 31' ' ' GLU . 59.9 t -63.75 -40.85 90.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.77 29.76 11.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 14.6 t80 -83.17 152.18 25.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.66 92.64 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.72 128.43 1.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.469 ' HG ' ' CB ' ' A' ' 94' ' ' SER . 0.3 OUTLIER -60.25 140.62 56.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' LEU . 13.9 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.05 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.42 ' CE1' ' HG ' ' A' ' 89' ' ' LEU . 51.2 t80 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.455 0.169 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -48.32 -61.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' LYS . 3.5 ttm-85 -38.38 -58.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.69 ' HA ' HD12 ' A' ' 52' ' ' ILE . 76.1 mt -47.51 -62.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.574 ' HG3' HD21 ' A' ' 86' ' ' LEU . 6.5 tt0 -53.06 -52.83 57.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -42.16 -43.25 3.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 49' ' ' LEU . 10.3 mt -59.89 -63.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD13 ' CA ' ' A' ' 86' ' ' LEU . 29.9 mt -53.56 -57.0 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -51.64 -49.41 62.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -58.96 -56.54 20.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 25.7 mm100 -52.4 -46.78 66.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.644 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.0 OUTLIER -51.66 -54.19 30.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.511 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.8 t80 -50.64 -26.83 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -80.49 -31.34 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.41 HG12 HG21 ' A' ' 23' ' ' ILE . 57.2 mt -61.82 -42.07 93.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.51 -28.11 66.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -39.74 78.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.01 116.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -75.54 168.48 19.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.1 p -129.97 -55.35 1.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.92 38.04 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.76 65.26 1.83 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -112.25 -32.86 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.82 -63.4 2.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -40.29 -47.69 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.425 HD13 ' HB2' ' A' ' 16' ' ' SER . 38.5 mt -82.31 -54.08 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -45.45 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -49.17 78.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -63.39 -60.17 3.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -42.58 -70.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -44.2 -50.67 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.484 ' N ' ' CG ' ' A' ' 76' ' ' LYS . 17.2 mmt85 -56.63 -37.16 70.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -74.5 -41.99 59.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.9 -41.98 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -75.26 -44.27 46.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -60.64 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.667 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.5 m -47.03 -60.61 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.5 -47.81 38.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -66.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.948 HD11 ' HG3' ' A' ' 31' ' ' GLU . 4.1 mm? -50.61 -51.51 48.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.574 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -41.57 -49.43 4.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -52.85 63.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -52.84 -39.04 62.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 49' ' ' LEU . 4.1 tp -54.12 -62.56 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 35.7 mt-10 -40.34 -56.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -62.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -40.72 -37.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -44.2 -73.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.469 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.575 ' CE1' HD11 ' A' ' 71' ' ' ILE . 9.5 t-80 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.01 -20.97 16.32 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.494 ' OG ' HG13 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -87.68 -54.28 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.979 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -56.04 -48.49 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 t -60.8 -19.58 59.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.017 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.482 ' O ' HD12 ' A' ' 23' ' ' ILE . 7.1 tpp180 -79.78 -51.42 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.968 HD11 HG11 ' A' ' 63' ' ' VAL . 9.4 mp -56.17 -40.42 73.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -66.64 -23.89 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.34 -5.97 53.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.601 HD11 ' OE1' ' A' ' 59' ' ' GLU . 2.5 mt -111.36 -36.09 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -62.35 -49.93 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -55.99 -28.4 57.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.02 -63.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.73 HG11 ' OG1' ' A' ' 82' ' ' THR . 13.1 m -55.29 -30.2 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -41.07 28.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -69.16 -13.95 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.629 HG21 HG21 ' A' ' 52' ' ' ILE . 2.2 pp -112.91 4.76 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.693 ' O ' HG23 ' A' ' 35' ' ' VAL . 25.6 tt0 -66.01 -42.69 53.5 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.96 -0.99 10.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.725 ' C ' HD21 ' A' ' 49' ' ' LEU . 46.5 mt-30 -92.02 -7.21 49.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.664 ' CG1' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -122.94 -37.75 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 31' ' ' GLU . 25.3 t -37.95 -69.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.38 49.67 0.83 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.499 ' CG ' ' N ' ' A' ' 38' ' ' SER . 29.3 t80 -81.06 164.86 22.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.499 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 91.7 p -146.49 105.73 3.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.452 ' HA3' ' CZ ' ' A' ' 37' ' ' PHE . . . 178.64 147.87 7.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.2 145.23 51.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.522 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 3.6 t80 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.561 0.22 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm -48.34 -60.25 2.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -59.06 -54.4 47.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.725 HD21 ' C ' ' A' ' 33' ' ' GLN . 2.3 mp -40.73 -59.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 54' ' ' THR . 5.0 tt0 -49.89 -63.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 54' ' ' THR . 13.4 mmt180 -45.22 -52.66 9.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.629 HG21 HG21 ' A' ' 30' ' ' ILE . 66.5 mt -49.01 -60.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.601 HD22 HG23 ' A' ' 82' ' ' THR . 44.6 mt -57.26 -56.55 20.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -45.13 -38.14 4.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -48.8 34.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -59.75 -47.75 84.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.646 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.4 tm? -54.73 -57.73 10.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.535 ' N ' HD13 ' A' ' 57' ' ' LEU . 2.1 t80 -47.41 -28.19 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.601 ' OE1' HD11 ' A' ' 23' ' ' ILE . 1.3 mm-40 -78.1 -32.38 50.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 57' ' ' LEU . 33.0 mt -62.96 -47.59 92.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.69 -15.47 62.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.47 -36.7 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.968 HG11 HD11 ' A' ' 20' ' ' LEU . 24.7 t -60.24 117.3 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -83.84 137.35 33.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -98.38 -32.49 11.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.78 40.48 26.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.98 56.78 20.53 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' ILE . 23.7 mttm -129.89 91.0 3.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 0.738 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -39.41 -58.18 2.1 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 69' ' ' GLY . 1.5 m-20 -38.7 -37.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.376 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.575 HD11 ' CE1' ' A' ' 14' ' ' HIS . 97.8 mt -91.77 -56.63 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.32 -45.88 6.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -54.77 43.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -56.83 -54.58 44.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -50.21 -67.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -49.73 -25.22 2.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 5.0 mmm180 -81.86 -31.99 31.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -79.17 -22.1 45.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.4 -35.67 76.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -80.27 -37.77 32.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -62.8 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.73 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -50.64 -58.95 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -49.7 -39.66 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.89 -60.33 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.664 HD12 ' CG1' ' A' ' 34' ' ' VAL . 3.5 mm? -56.76 -52.01 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.46 ' HG ' HD13 ' A' ' 53' ' ' LEU . 1.4 mt -40.96 -60.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mmmt -39.87 -54.72 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.64 -40.49 83.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.522 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 9.5 tp -44.27 -28.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.549 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.7 OUTLIER -84.73 -54.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -58.03 -56.08 26.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 35' ' ' VAL . 1.3 m-80 -52.31 -44.78 65.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -40.47 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.041 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.59 ' CE1' HD11 ' A' ' 71' ' ' ILE . 18.4 t-80 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -75.02 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 50.6 m -107.9 -48.06 3.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.2 mm -63.37 -40.22 88.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 t -60.12 -34.9 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -63.98 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.042 ' CD1' HG21 ' A' ' 63' ' ' VAL . 1.3 mp -44.68 -36.87 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -67.51 -40.38 85.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -77.81 -11.16 59.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.508 HG23 ' HB3' ' A' ' 56' ' ' GLN . 1.7 mt -100.7 -30.01 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.528 ' O ' HG22 ' A' ' 27' ' ' VAL . 50.6 mt-30 -68.54 -53.15 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 26' ' ' GLU . 3.4 ptm180 -54.02 -22.06 9.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.3 mm-40 -75.4 -56.27 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 24' ' ' GLN . 20.3 m -61.36 -29.2 45.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -77.45 -37.76 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.234 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.65 -9.36 58.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.501 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.3 pp -120.15 3.66 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 24.8 tt0 -66.27 -43.25 53.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.01 1.13 8.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.639 ' C ' HD21 ' A' ' 49' ' ' LEU . 16.2 mt-30 -93.82 -12.01 29.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.728 ' CG1' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -113.45 -33.26 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.35 -43.31 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.35 22.08 42.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.462 ' CG ' ' N ' ' A' ' 38' ' ' SER . 84.4 t80 -73.75 169.79 16.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.462 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -167.61 103.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.74 -161.52 35.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 mt -100.81 175.38 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.531 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 56.3 t80 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.553 0.216 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -54.72 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.61 -67.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.639 HD21 ' C ' ' A' ' 33' ' ' GLN . 2.8 mp -41.9 -65.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 54' ' ' THR . 2.8 tt0 -40.18 -55.95 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.403 ' O ' HG22 ' A' ' 54' ' ' THR . 16.0 mmt85 -55.76 -50.04 71.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -52.35 -55.24 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.09 -58.41 8.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -50.19 -44.3 52.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -60.35 -63.76 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.508 ' HB3' HG23 ' A' ' 23' ' ' ILE . 44.1 mm-40 -44.44 -51.38 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.646 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -54.1 -57.44 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.51 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.3 t80 -47.73 -27.54 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 1.6 mm-40 -79.39 -32.25 43.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' LEU . 53.1 mt -61.61 -49.38 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.86 -29.86 68.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -38.57 91.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 1.042 HG21 ' CD1' ' A' ' 20' ' ' LEU . 3.5 t -59.58 111.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -79.47 115.6 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.719 HG22 HG22 ' A' ' 71' ' ' ILE . 22.9 p -84.68 -14.89 47.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 39.1 45.52 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.59 59.21 1.64 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -103.82 -20.93 13.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.38 -50.06 4.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -49.51 -57.27 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.719 HG22 HG22 ' A' ' 65' ' ' THR . 12.7 mt -75.11 -54.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' ILE . 7.7 mt-30 -76.05 -58.13 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -62.96 -46.05 89.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.46 ' NE ' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -50.46 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -27.57 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -76.49 -34.12 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -81.2 -33.5 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.63 85.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.53 -41.51 75.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.646 HG21 ' HB2' ' A' ' 57' ' ' LEU . 52.3 m -46.62 -62.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -48.48 -47.1 38.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.34 -60.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.728 HD12 ' CG1' ' A' ' 34' ' ' VAL . 1.8 mm? -56.52 -48.36 77.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.68 -62.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -43.67 -58.35 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -47.3 -45.6 24.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.659 ' HA ' HG23 ' A' ' 34' ' ' VAL . 8.8 tp -41.89 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 3.0 mt-10 -38.56 -61.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.14 -64.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.17 -51.72 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -40.44 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.468 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 12.3 t-80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.99 -15.43 20.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.647 ' HB2' HD13 ' A' ' 71' ' ' ILE . 48.0 m -91.59 -34.8 14.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 71' ' ' ILE . 16.5 mm -67.48 -55.32 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.8 t -48.54 -44.57 36.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -53.79 -59.15 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 74' ' ' ALA . 38.7 mt -49.72 -47.06 50.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.25 -21.67 65.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.2 tt0 -95.05 -16.51 22.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.582 HG23 ' HB3' ' A' ' 56' ' ' GLN . 4.4 mt -91.69 -38.05 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.31 -46.94 86.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -58.64 -29.75 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 30' ' ' ILE . 3.5 mm-40 -68.94 -59.89 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.781 HG11 ' OG1' ' A' ' 82' ' ' THR . 12.7 m -59.95 -32.07 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -43.51 65.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.7 -20.92 65.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.548 HG21 HG21 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -109.11 6.22 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.679 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 22.8 tt0 -64.45 -40.45 50.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.03 -30.34 7.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.716 ' HB3' HD21 ' A' ' 49' ' ' LEU . 23.5 mt-30 -62.66 -21.56 65.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.54 ' HB ' HD12 ' A' ' 85' ' ' LEU . 74.4 t -93.23 -48.95 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.57 -38.87 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.67 19.02 56.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CD2' HD12 ' A' ' 89' ' ' LEU . 15.4 t80 -68.06 174.12 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.99 89.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.464 ' O ' ' CA ' ' A' ' 93' ' ' ALA . . . 170.74 172.25 36.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.76 178.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.79 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.6 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CE2' ' OE1' ' A' ' 50' ' ' GLU . 66.0 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.529 0.204 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -70.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' LEU . 3.5 tpt85 -38.53 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.814 ' HA ' HD12 ' A' ' 52' ' ' ILE . 5.8 mp -38.9 -61.29 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.427 ' OE1' ' CE2' ' A' ' 46' ' ' TYR . 3.4 tt0 -47.31 -58.84 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.461 ' O ' HG22 ' A' ' 54' ' ' THR . 7.7 mtt180 -43.69 -47.97 7.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 49' ' ' LEU . 14.8 mt -54.3 -71.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.543 HD22 HG23 ' A' ' 82' ' ' THR . 39.6 mt -44.28 -55.67 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -50.59 -34.5 26.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -77.07 -46.65 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.582 ' HB3' HG23 ' A' ' 23' ' ' ILE . 94.3 mm-40 -61.5 -46.09 91.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.635 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.1 tm? -53.97 -57.22 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.525 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.7 t80 -47.77 -27.67 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.521 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -79.11 -32.07 44.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.431 ' CG2' ' HG2' ' A' ' 75' ' ' ARG . 26.0 mt -62.5 -48.12 89.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.76 -31.53 72.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -35.7 81.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.413 HG13 ' HB3' ' A' ' 16' ' ' SER . 3.2 t -58.66 114.69 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -85.51 130.95 34.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 67' ' ' GLY . 81.3 p -113.59 85.67 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.68 63.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' THR . . . 37.42 63.81 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -112.69 -31.51 6.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.734 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.44 -63.85 2.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -41.71 -42.57 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 16' ' ' SER . 29.4 mt -86.43 -52.3 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.404 ' HA ' HG21 ' A' ' 65' ' ' THR . 0.1 OUTLIER -45.06 -43.94 9.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -59.72 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 20' ' ' LEU . . . -49.86 -67.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.431 ' HG2' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -40.97 -63.23 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -40.37 -59.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -56.99 -46.71 82.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.41 -49.86 68.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.405 ' CA ' HG21 ' A' ' 60' ' ' ILE . . . -49.33 -44.71 44.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -72.16 -44.82 62.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.74 -62.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.781 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -47.82 -61.52 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.365 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.89 -37.28 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -44.44 83.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.54 HD12 ' HB ' ' A' ' 34' ' ' VAL . 1.6 mm? -73.47 -44.03 58.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.52 ' HG ' HD13 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -54.62 -42.16 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -33.47 64.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 1.3 mm-40 -68.59 -17.55 64.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.602 HD12 ' CD2' ' A' ' 37' ' ' PHE . 45.1 tp -86.69 -59.94 2.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 91' ' ' GLN . 8.5 pt-20 -46.3 -36.76 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 1.4 mt-30 -76.03 -61.08 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 27.9 m-20 -52.02 -28.17 16.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.464 ' CA ' ' O ' ' A' ' 39' ' ' GLY . . . -46.05 -72.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.0 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.493 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.7 t-80 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.1 Cg_endo -75.01 -32.69 5.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.768 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.424 ' HB3' HG13 ' A' ' 63' ' ' VAL . 49.3 m -71.81 -34.71 69.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.462 ' CD1' HG12 ' A' ' 71' ' ' ILE . 18.2 mm -68.04 -59.15 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.9 t -51.33 -27.14 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -73.54 -68.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -53.64 -25.43 17.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -72.57 -29.94 63.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.29 -25.41 54.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.574 HG21 HG12 ' A' ' 60' ' ' ILE . 1.4 mt -79.58 -24.67 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.483 ' O ' HG22 ' A' ' 27' ' ' VAL . 6.0 mt-30 -68.03 -52.57 34.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -28.23 46.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.65 -62.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.606 HG11 ' OG1' ' A' ' 82' ' ' THR . 15.9 m -54.27 -28.15 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -78.64 -39.45 37.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.88 -11.62 60.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 34' ' ' VAL . 2.6 pp -115.63 -3.72 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 13.3 tt0 -55.0 -44.41 99.59 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.06 -39.27 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -53.94 -20.74 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.63 HG22 HD13 ' A' ' 49' ' ' LEU . 63.5 t -94.43 -50.9 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 31' ' ' GLU . 95.1 t -58.1 -38.05 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.62 26.96 22.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' A' ' 38' ' ' SER . 36.3 t80 -75.7 162.99 27.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -150.55 102.73 3.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 93' ' ' ALA . . . 172.89 158.85 18.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.42 143.47 29.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.534 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 29.6 t80 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.536 0.208 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -47.01 -45.63 21.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -52.43 -66.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.85 ' HA ' HD12 ' A' ' 52' ' ' ILE . 18.1 mt -45.19 -62.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -50.02 -37.6 33.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.421 ' O ' HG22 ' A' ' 54' ' ' THR . 7.6 mmt180 -66.36 -35.97 81.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 49' ' ' LEU . 23.0 mt -61.24 -65.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.494 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . 3.9 mm? -45.62 -62.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -48.85 -53.0 21.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 54' ' ' THR . 1.1 tmtt? -54.54 -53.86 48.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -57.77 -47.4 82.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.829 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.9 OUTLIER -50.59 -54.85 19.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.545 ' N ' HD13 ' A' ' 57' ' ' LEU . 4.1 t80 -51.1 -26.2 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.447 ' OE1' HD11 ' A' ' 23' ' ' ILE . 3.6 mm-40 -81.59 -29.95 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.574 HG12 HG21 ' A' ' 23' ' ' ILE . 7.3 mt -66.22 -50.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.15 -27.68 68.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -35.07 78.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.664 HG11 ' HB3' ' A' ' 20' ' ' LEU . 3.6 t -69.19 108.39 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -62.19 172.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.762 HG22 HG22 ' A' ' 71' ' ' ILE . 25.7 p -131.94 -50.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 65.42 51.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.63 37.64 61.62 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.536 1.148 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -111.0 90.42 3.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.75 -40.82 12.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -50.82 -22.26 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.762 HG22 HG22 ' A' ' 65' ' ' THR . 80.8 mt -103.42 -50.03 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -39.64 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -60.77 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB3' HD21 ' A' ' 20' ' ' LEU . . . -50.33 -69.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.731 ' HG3' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -38.8 -61.91 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.81 -63.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -49.14 -31.5 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 75' ' ' ARG . . . -77.27 -37.2 53.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -60.63 -37.42 81.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -75.91 -42.38 49.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -49.26 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.829 HG21 ' HB2' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -59.91 -65.5 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.478 ' N ' HG22 ' A' ' 82' ' ' THR . 0.9 OUTLIER -44.92 -51.03 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -49.99 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 3.1 mm? -64.13 -45.25 89.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.494 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -43.17 -58.04 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 88' ' ' GLU . 7.1 mmmt -52.72 -55.97 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 87' ' ' LYS . 1.9 mm-40 -38.08 -47.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.544 ' CD1' HD12 ' A' ' 49' ' ' LEU . 33.4 tp -43.84 -59.65 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.64 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 28.2 mt-10 -45.51 -44.25 12.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -66.7 -65.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -48.16 -29.73 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -46.06 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.971 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.494 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.2 t-80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.494 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.03 -23.02 14.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.549 ' HB2' HD13 ' A' ' 71' ' ' ILE . 41.5 m -85.93 -16.91 36.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.001 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 mm -89.84 -55.39 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.9 t -44.76 -34.31 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.597 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -61.66 -57.68 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.743 HD21 ' HA ' ' A' ' 75' ' ' ARG . 9.4 mt -56.62 -20.9 23.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -86.25 -16.05 38.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -99.22 -16.04 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.597 HD12 ' HG3' ' A' ' 19' ' ' ARG . 31.2 mt -97.49 -43.4 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 24.1 mt-30 -58.38 -42.45 87.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -63.74 -27.91 69.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.36 -61.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.855 HG11 ' OG1' ' A' ' 82' ' ' THR . 18.2 m -53.76 -29.34 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 24' ' ' GLN . 1.4 mmtp -75.92 -45.17 36.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.54 -10.35 50.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.635 HD11 ' CD2' ' A' ' 53' ' ' LEU . 1.1 pp -120.82 -2.05 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 18.3 tt0 -55.27 -44.53 99.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.5 Cg_endo -75.02 -20.03 17.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -70.3 -19.27 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.352 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.446 ' HB ' HD22 ' A' ' 85' ' ' LEU . 72.6 t -100.98 -44.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 31' ' ' GLU . 59.0 t -62.6 -38.31 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.17 26.51 24.02 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 17.4 t80 -79.14 155.56 28.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.81 100.42 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 93' ' ' ALA . . . 165.28 144.87 4.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -48.08 171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.578 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 19.4 m . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 41' ' ' SER . 72.2 t80 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.499 0.19 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -48.12 -53.47 16.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -51.89 -61.09 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.846 ' HA ' HD12 ' A' ' 52' ' ' ILE . 68.4 mt -44.65 -64.49 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.786 ' HG3' HD21 ' A' ' 86' ' ' LEU . 16.3 tt0 -51.26 -44.79 61.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -52.34 -41.5 63.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.846 HD12 ' HA ' ' A' ' 49' ' ' LEU . 11.5 mt -60.82 -59.65 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.635 ' CD2' HD11 ' A' ' 30' ' ' ILE . 97.2 mt -56.08 -56.19 23.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -53.9 -44.53 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 4.3 tptm -64.79 -53.14 51.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 42.3 mm-40 -55.6 -49.15 73.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.556 ' C ' HD13 ' A' ' 57' ' ' LEU . 1.4 tm? -53.01 -54.1 40.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.456 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.1 t80 -50.3 -26.75 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.522 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -79.83 -30.31 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.436 ' O ' ' CD ' ' A' ' 75' ' ' ARG . 55.9 mt -65.04 -44.92 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -72.96 -4.69 33.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.63 -56.49 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.567 HG12 ' HD2' ' A' ' 75' ' ' ARG . 1.6 p -57.08 129.65 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -84.62 175.8 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -130.72 -44.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 79.16 45.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.35 63.64 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -112.32 -32.96 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 98.89 -65.05 0.71 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.56 1.163 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' GLY . 36.7 m-20 -39.82 -52.11 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 16' ' ' SER . 35.3 mt -75.19 -55.89 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.488 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -42.5 -55.05 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 0.7 OUTLIER -53.2 -41.08 64.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.428 ' CB ' HD13 ' A' ' 20' ' ' LEU . . . -67.1 -66.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.743 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -39.01 -57.86 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.488 ' CE ' ' OE1' ' A' ' 72' ' ' GLN . 14.1 ptpt -57.61 -42.29 82.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 17.6 mmt180 -62.49 -45.21 94.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.06 97.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -55.76 -37.01 67.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.13 -37.94 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.92 -58.92 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.855 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.2 m -55.07 -42.85 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 50.0 mm-40 -66.39 -21.12 66.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -49.72 52.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.582 ' HB3' HD11 ' A' ' 53' ' ' LEU . 3.5 mt -58.95 -51.32 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.786 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -43.89 -40.24 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -64.89 -44.4 89.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -59.62 -46.82 87.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.5 tp -45.63 -63.84 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.654 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 4.0 mm-40 -39.07 -61.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' ASN . 18.0 mt-30 -58.99 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -39.93 -43.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -39.93 -76.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.448 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 10.2 t-80 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -74.99 -19.17 18.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.46 ' HB2' HD13 ' A' ' 71' ' ' ILE . 29.9 m -88.16 -22.82 23.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.409 ' CD1' HG12 ' A' ' 71' ' ' ILE . 21.1 mm -86.65 -47.56 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.5 t -55.71 -22.14 22.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.676 ' HG3' HD12 ' A' ' 23' ' ' ILE . 2.1 tpp180 -80.32 -48.19 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.77 -42.64 93.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -56.48 -33.6 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -35.19 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.676 HD12 ' HG3' ' A' ' 19' ' ' ARG . 3.0 mt -71.99 -37.75 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' GLU . 8.6 mt-30 -64.84 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 7.5 ptp180 -43.44 -27.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.6 mm-40 -73.21 -70.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 23' ' ' ILE . 4.2 m -51.64 -28.37 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -43.2 34.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . -65.18 -16.82 63.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.509 HG12 HG21 ' A' ' 52' ' ' ILE . 2.4 pp -111.17 11.61 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.824 ' HG3' HD21 ' A' ' 85' ' ' LEU . 26.7 tt0 -72.85 -42.69 7.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.1 Cg_endo -75.0 1.18 8.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.779 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.632 ' C ' HD21 ' A' ' 49' ' ' LEU . 18.6 mt-30 -96.68 -6.78 35.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.712 ' HB ' HD13 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -119.35 -35.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.99 -44.93 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.68 21.17 46.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.123 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 38' ' ' SER . 92.8 t80 -76.62 167.09 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.428 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -167.87 101.66 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.09 173.9 37.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.055 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 mt -73.26 170.62 14.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.425 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 11.3 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' A' ' 41' ' ' SER . 46.7 t80 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.488 0.185 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 51' ' ' ARG . 7.5 mmmm -54.59 -37.71 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -59.19 -58.83 6.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.632 HD21 ' C ' ' A' ' 33' ' ' GLN . 5.3 mp -52.71 -60.93 2.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.07 -36.15 28.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 4.0 mmt85 -69.47 -29.75 67.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 49' ' ' LEU . 18.3 mt -70.71 -69.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 82' ' ' THR . 2.9 mm? -38.76 -65.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.26 -45.04 8.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -62.92 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 8.5 mm100 -49.5 -43.23 45.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.761 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.4 tm? -51.48 -54.18 29.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.47 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.3 t80 -51.0 -26.16 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.511 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -81.67 -31.89 32.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.404 HG23 ' HG2' ' A' ' 75' ' ' ARG . 25.2 mt -62.74 -48.25 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -61.73 -31.33 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -53.1 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.0 t -40.28 123.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -89.63 135.62 33.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.673 HG22 HG22 ' A' ' 71' ' ' ILE . 41.3 p -121.22 84.69 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.81 62.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' THR . . . 36.86 67.98 0.38 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -116.77 -39.62 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.82 -63.21 0.67 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -41.17 -37.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.673 HG22 HG22 ' A' ' 65' ' ' THR . 46.8 mt -92.02 -51.78 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -42.99 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -56.36 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.365 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -55.32 -58.56 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -45.83 -68.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 5.5 pttt -48.08 -39.21 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.405 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 8.8 mmm180 -67.15 -30.51 70.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -84.19 -35.24 23.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.53 -20.83 63.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 84' ' ' ARG . 91.7 mt-30 -92.04 -49.21 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.09 -62.61 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.761 HG21 ' HB2' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -45.45 -59.68 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -60.82 -21.57 63.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -70.76 -40.03 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.824 HD21 ' HG3' ' A' ' 31' ' ' GLU . 13.1 mt -77.56 -47.83 18.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 1.2 mt -39.44 -49.24 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -67.95 -43.1 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.6 mm-40 -51.67 -47.11 63.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.712 HD13 ' HB ' ' A' ' 34' ' ' VAL . 12.4 tp -52.56 -61.61 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -53.46 -32.4 49.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -74.99 -28.47 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -108.48 21.12 17.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.39 -83.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.764 ' CE1' HD11 ' A' ' 71' ' ' ILE . 9.7 t-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.0 -23.53 13.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.721 ' O ' HD13 ' A' ' 20' ' ' LEU . 51.2 m -81.68 -39.44 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mm -68.83 -48.38 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.5 t -51.26 -24.81 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.583 ' HG3' HD12 ' A' ' 23' ' ' ILE . 3.6 tpp180 -82.55 -44.27 16.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.813 ' CD1' HG21 ' A' ' 63' ' ' VAL . 11.1 mp -59.84 -42.47 93.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -60.08 -23.21 63.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.11 -14.56 30.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.583 HD12 ' HG3' ' A' ' 19' ' ' ARG . 6.0 mt -94.46 -41.95 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.497 ' O ' HG22 ' A' ' 27' ' ' VAL . 22.8 mt-30 -60.87 -44.64 96.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -61.44 -30.75 70.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.259 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.02 -55.72 13.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.777 HG11 ' OG1' ' A' ' 82' ' ' THR . 17.1 m -61.66 -27.07 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -40.76 28.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.76 -12.53 61.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.581 ' O ' HG13 ' A' ' 34' ' ' VAL . 2.4 pp -114.56 -6.86 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.5 tt0 -51.01 -46.27 88.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.01 -18.23 18.86 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.788 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -74.89 -16.8 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 30' ' ' ILE . 2.0 m -109.54 -34.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 31' ' ' GLU . 55.9 t -62.53 -51.1 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.32 34.86 5.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 49' ' ' LEU . 24.2 t80 -81.96 159.39 23.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.79 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.404 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -152.64 102.58 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.35 132.82 1.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.672 HD22 ' HB2' ' A' ' 94' ' ' SER . 2.4 mm? -59.95 145.68 45.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 17.6 t80 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.459 0.171 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -48.89 41.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -51.08 69.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.625 ' HA ' HD12 ' A' ' 52' ' ' ILE . 53.1 mt -49.59 -51.21 38.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.623 ' HG3' HD21 ' A' ' 86' ' ' LEU . 13.4 tt0 -67.32 -55.52 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 mmt180 -40.63 -38.88 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 49' ' ' LEU . 19.1 mt -56.83 -69.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 82' ' ' THR . 3.8 mm? -41.68 -64.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -49.74 -52.36 32.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.442 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -53.77 -44.7 70.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.7 mm100 -68.11 -49.25 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.829 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.7 tm? -51.4 -56.83 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.47 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -47.5 -28.75 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HB3' HD11 ' A' ' 23' ' ' ILE . 4.6 mm-40 -78.9 -30.93 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.481 HG12 HG21 ' A' ' 23' ' ' ILE . 37.5 mt -65.7 -51.94 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.65 -24.25 66.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.33 -30.29 68.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.813 HG21 ' CD1' ' A' ' 20' ' ' LEU . 2.2 t -64.13 107.19 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.37 118.95 8.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.599 HG22 HG22 ' A' ' 71' ' ' ILE . 69.7 p -87.38 -35.53 18.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 54.32 25.5 5.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.86 38.47 41.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.594 ' HB2' HD12 ' A' ' 71' ' ' ILE . 17.2 mttt -103.49 103.77 13.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 71' ' ' ILE . . . -45.79 -50.2 11.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -45.42 -26.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.764 HD11 ' CE1' ' A' ' 14' ' ' HIS . 44.1 mt -101.95 -55.09 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.58 -27.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -54.29 5.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -65.4 -56.37 12.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -37.57 -71.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -49.74 -47.73 50.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.25 -53.44 35.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.21 82.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.58 -35.98 9.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 84' ' ' ARG . 79.1 mt-30 -71.04 -52.87 17.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER -44.25 -63.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.829 HG21 ' HB2' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -47.53 -61.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.433 ' N ' HG22 ' A' ' 82' ' ' THR . 15.1 mm-40 -56.69 -18.59 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 1.6 ttt85 -71.65 -41.3 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 31' ' ' GLU . 5.2 mt -76.51 -48.67 18.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.623 HD21 ' HG3' ' A' ' 50' ' ' GLU . 1.2 mt -37.93 -42.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -58.76 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -47.94 -48.5 32.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 33.0 tp -45.78 -57.02 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.789 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 2.7 mt-10 -47.78 -59.96 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.04 -62.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -41.33 -33.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -49.07 -73.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.672 ' HB2' HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.065 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.538 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 8.1 t-80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.0 -24.25 13.0 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.467 ' HB3' ' ND1' ' A' ' 14' ' ' HIS . 28.8 t -82.0 -7.11 59.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.79 HD11 HG12 ' A' ' 71' ' ' ILE . 6.1 mm -106.46 -35.76 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 t -69.54 -30.97 68.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.455 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -60.53 -56.83 16.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.637 HD11 HG11 ' A' ' 63' ' ' VAL . 4.2 mp -52.38 -43.54 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -50.09 -25.86 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.35 -25.13 19.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.455 HD12 ' HG3' ' A' ' 19' ' ' ARG . 3.1 mt -83.4 -31.0 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -67.14 -50.58 60.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -24.76 39.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.52 -61.59 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.493 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 18.7 m -57.59 -26.17 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 1.7 mmtp -79.16 -41.4 28.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -8.71 41.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.892 HD11 HD21 ' A' ' 53' ' ' LEU . 2.5 pp -119.83 6.47 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.681 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.9 tt0 -68.26 -41.77 26.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -74.96 -1.57 11.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -89.28 -58.96 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.777 HG23 ' HA ' ' A' ' 89' ' ' LEU . 0.8 OUTLIER -62.56 -38.53 81.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 31' ' ' GLU . 89.4 t -62.11 -48.26 89.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.64 33.33 6.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.117 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 11.2 t80 -84.06 152.84 24.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.432 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -147.4 101.74 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.43 -140.29 3.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.438 ' C ' ' HB1' ' A' ' 93' ' ' ALA . 18.2 mt -124.75 -178.78 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.431 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 5.4 t80 . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.46 0.171 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -42.23 -49.9 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -57.64 10.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.838 ' HA ' HD12 ' A' ' 52' ' ' ILE . 77.9 mt -43.3 -56.14 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.514 ' HG3' HD21 ' A' ' 86' ' ' LEU . 18.4 tt0 -58.03 -52.63 64.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.99 -46.28 11.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 49' ' ' LEU . 5.8 mt -56.55 -64.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.892 HD21 HD11 ' A' ' 30' ' ' ILE . 83.4 mt -51.6 -56.8 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -48.98 -42.98 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -49.89 66.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.421 ' HB3' HG23 ' A' ' 23' ' ' ILE . 39.4 mm-40 -59.42 -46.12 89.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.5 tm? -57.4 -58.62 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.458 ' N ' HD13 ' A' ' 57' ' ' LEU . 7.2 t80 -46.9 -28.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.74 -32.55 57.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.478 HG23 ' HG3' ' A' ' 75' ' ' ARG . 78.1 mt -60.36 -45.13 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -70.29 -33.93 72.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -58.99 -61.2 2.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.94 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.637 HG11 HD11 ' A' ' 20' ' ' LEU . 41.8 t -43.74 108.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -59.85 159.85 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.452 ' CG2' ' HD2' ' A' ' 75' ' ' ARG . 27.6 p -115.86 -33.86 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 68.64 20.92 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.46 56.81 15.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' ILE . 2.5 mttm -132.87 102.14 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -39.02 -61.74 1.34 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' GLY . 7.2 m-20 -37.42 -35.4 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.79 HG12 HD11 ' A' ' 17' ' ' ILE . 7.7 mt -92.49 -59.71 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.52 -44.14 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -53.1 -57.3 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -40.26 -65.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.611 HH21 HG11 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -37.48 -70.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 75' ' ' ARG . 2.8 tttt -39.67 -58.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -53.28 -44.34 68.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.5 -49.27 77.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.24 -56.5 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -51.76 -25.54 7.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.22 -52.61 7.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.457 ' OG1' HG11 ' A' ' 27' ' ' VAL . 4.5 m -65.43 -42.35 92.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -68.88 -17.58 64.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -73.88 -48.64 29.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.766 HD22 ' CG1' ' A' ' 34' ' ' VAL . 5.0 mt -67.11 -51.38 54.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.514 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -40.1 -38.52 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -63.79 -53.62 48.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' LEU . 1.4 mm-40 -57.53 -27.35 62.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.777 ' HA ' HG23 ' A' ' 34' ' ' VAL . 6.2 tp -56.19 -51.57 67.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.725 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 3.0 mt-10 -58.14 -55.8 30.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -55.6 -66.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' GLN . 18.8 m-80 -40.28 -43.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -41.31 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.753 ' CE1' HD11 ' A' ' 71' ' ' ILE . 8.9 t-80 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.01 -20.3 16.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.671 ' OG ' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -84.62 -42.07 15.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.9 mm -65.14 -42.86 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.9 t -62.42 -20.16 64.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.967 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.475 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -83.62 -43.43 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.842 HD11 HG11 ' A' ' 63' ' ' VAL . 10.3 mp -62.08 -42.59 99.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -55.44 -25.55 36.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.25 -16.39 24.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 19' ' ' ARG . 86.1 mt -92.24 -43.79 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -62.42 -67.13 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 15.8 ptt180 -39.46 -33.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 29' ' ' ALA . 4.0 mm-40 -67.74 -74.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.493 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 4.1 m -47.34 -32.85 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -75.89 -38.88 57.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . -69.49 -6.64 31.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.78 HG12 HG21 ' A' ' 52' ' ' ILE . 2.6 pp -121.5 -2.14 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.553 ' HB2' HD11 ' A' ' 85' ' ' LEU . 3.5 tt0 -55.77 -48.72 95.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.06 -9.1 20.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.449 1.763 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -80.37 -21.84 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 30' ' ' ILE . 1.3 m -100.08 -43.01 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.413 ' HA ' ' ND2' ' A' ' 92' ' ' ASN . 87.7 t -64.25 -35.15 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.83 11.87 67.7 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.84 164.38 17.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.63 87.75 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.37 -135.16 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' A' ' 94' ' ' SER . 5.6 mt -136.05 -176.3 4.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.046 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.57 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 60.0 t80 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.486 0.184 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -58.45 -60.81 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -41.34 -69.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.637 ' HA ' HD12 ' A' ' 52' ' ' ILE . 12.9 mt -41.01 -60.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -50.19 -48.16 54.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.421 ' O ' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -48.64 -53.61 17.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.277 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.78 HG21 HG12 ' A' ' 30' ' ' ILE . 4.0 mt -43.2 -67.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 82' ' ' THR . 2.7 mm? -47.98 -62.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.51 HG22 ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -44.17 -54.76 5.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.408 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.51 ' N ' HG22 ' A' ' 54' ' ' THR . 2.0 mptt -54.94 -66.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.0 mm-40 -46.3 -48.28 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.852 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -48.5 -50.07 33.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.428 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.3 t80 -54.99 -25.18 28.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.475 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -83.25 -31.44 26.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.5 mt -63.09 -44.62 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -67.53 -26.14 66.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.25 -37.73 71.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.842 HG11 HD11 ' A' ' 20' ' ' LEU . 57.2 t -50.05 125.63 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -89.56 111.46 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.6 p -81.16 -48.47 12.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.15 32.65 15.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.25 63.07 3.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -112.57 -11.82 13.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 73.88 -62.92 2.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' GLY . 69.8 m-20 -39.97 -52.46 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.753 HD11 ' CE1' ' A' ' 14' ' ' HIS . 56.2 mt -77.34 -54.19 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -41.69 -53.51 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -51.82 -42.21 62.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.91 -60.44 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -53.69 15.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -60.96 -27.05 67.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -35.35 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.49 -35.73 46.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.44 -15.82 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 84' ' ' ARG . 49.6 mt-30 -94.49 -51.29 4.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.89 -60.48 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.852 HG21 ' HB2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -44.93 -61.37 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -58.21 -30.11 66.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 80' ' ' GLN . 4.7 ttt-85 -61.55 -43.91 98.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 31' ' ' GLU . 5.8 mt -74.79 -50.36 17.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.449 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 1.3 mt -39.48 -30.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' A' ' 85' ' ' LEU . 2.5 mmtt -80.51 -52.2 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 3.7 mm-40 -52.65 -41.97 64.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.57 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 13.8 tp -48.73 -33.58 10.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -79.27 -64.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.44 -31.76 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 35' ' ' VAL . 21.4 m-80 -81.9 -40.57 22.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . -41.07 -79.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.556 ' HB3' HD23 ' A' ' 40' ' ' LEU . 4.6 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.8 t-80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.0 -14.68 21.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.438 1.757 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.432 ' HB2' HD13 ' A' ' 71' ' ' ILE . 56.5 m -89.17 -32.27 17.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.949 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.2 mm -72.16 -52.99 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.6 t -51.24 -41.05 60.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -63.41 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.5 mt -51.98 -32.51 33.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -73.71 -24.35 59.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -89.48 -19.92 24.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' A' ' 56' ' ' GLN . 3.6 mt -89.88 -35.07 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -64.4 -44.95 89.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -61.96 -25.7 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.323 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 30' ' ' ILE . 3.2 mm-40 -76.89 -68.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.724 HG11 ' OG1' ' A' ' 82' ' ' THR . 13.1 m -47.62 -36.32 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.79 -40.62 69.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.9 -16.53 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -112.68 2.43 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.922 ' O ' HG23 ' A' ' 35' ' ' VAL . 9.8 tt0 -63.16 -46.39 86.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -75.0 -8.22 19.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -76.17 -33.27 59.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.632 HG22 ' CD1' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -93.39 -34.22 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 31' ' ' GLU . 46.7 t -65.02 -35.94 76.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.31 25.74 25.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -85.67 130.21 34.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.25 93.63 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.68 -148.75 5.28 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.706 HD23 ' OG ' ' A' ' 94' ' ' SER . 5.3 mt -126.28 133.52 51.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.8 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.488 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.577 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 2.7 t80 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.499 0.19 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -41.39 -59.22 1.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' LYS . 5.0 ttt180 -38.76 -52.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.533 HD13 HG12 ' A' ' 34' ' ' VAL . 8.5 mt -59.96 -64.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -42.92 -45.74 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.17 -52.79 64.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 49' ' ' LEU . 17.6 mt -51.43 -36.45 17.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.482 HD11 ' HB3' ' A' ' 85' ' ' LEU . 16.9 mt -77.19 -49.74 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -37.81 73.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -55.19 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.481 ' HB3' HG23 ' A' ' 23' ' ' ILE . 98.6 mm-40 -65.78 -22.49 66.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.53 ' HA ' HG13 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -75.65 -63.39 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.96 -22.25 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 57' ' ' LEU . 5.2 mm-40 -77.62 -31.92 53.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.53 HG13 ' HA ' ' A' ' 57' ' ' LEU . 2.5 mt -61.14 -51.2 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.94 -25.91 67.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.09 -42.67 69.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.1 t -54.48 114.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.76 152.07 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.4 p -113.51 -25.44 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.433 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 43.45 32.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.83 57.32 9.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' GLY . 25.7 mttm -129.07 90.38 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' LYS . . . -36.42 -56.3 1.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -40.0 -49.18 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.432 HD13 ' HB2' ' A' ' 16' ' ' SER . 96.6 mt -78.98 -57.66 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.92 -54.35 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -52.42 -62.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -48.65 -53.75 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -69.38 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -52.49 -27.02 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' GLN . 7.1 mtt-85 -75.14 -30.11 60.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -82.26 -35.65 27.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -61.66 -28.4 69.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -78.85 -44.17 23.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.45 -47.52 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.724 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -59.12 -36.27 74.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 11.1 mm-40 -73.27 -44.94 58.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -59.75 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.632 ' CD1' HG22 ' A' ' 34' ' ' VAL . 3.3 mm? -50.23 -46.05 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.29 -31.55 33.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -81.9 -52.36 7.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -45.06 -38.7 5.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.577 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 27.8 tp -60.81 -63.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.21 -29.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 89' ' ' LEU . 22.1 tp60 -89.93 -57.93 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -49.79 -26.62 4.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.418 ' HB2' ' HE2' ' A' ' 46' ' ' TYR . . . -52.3 -78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.706 ' OG ' HD23 ' A' ' 40' ' ' LEU . 8.9 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.88 99.59 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -85.95 98.81 11.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.39 72.7 0.3 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -174.21 83.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.952 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -163.35 144.12 9.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.31 177.04 36.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.31 105.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.32 109.79 4.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.41 142.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.91 80.78 1.45 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 171.04 120.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -94.45 103.8 15.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.453 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 12.8 t-80 -43.44 141.33 2.03 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.158 . . . . 0.0 109.576 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.453 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.03 -5.63 17.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.59 ' HB2' HD13 ' A' ' 71' ' ' ILE . 50.1 m -99.06 -34.2 10.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.9 mm -68.57 -55.04 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -53.06 -43.26 66.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -56.35 -62.41 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' GLN . 32.5 mt -50.53 -36.57 34.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -71.41 -24.5 62.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.5 mt-10 -92.66 -15.59 26.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' A' ' 56' ' ' GLN . 2.7 mt -101.34 -30.26 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.469 ' O ' HG22 ' A' ' 27' ' ' VAL . 2.8 mt-30 -68.75 -52.78 26.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -54.89 -21.52 11.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -76.5 -57.71 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.496 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 17.6 m -60.37 -31.19 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -41.45 34.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -70.25 -13.07 62.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.6 pp -115.19 -5.84 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 12.8 tt0 -52.35 -45.52 94.84 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.0 -31.95 5.78 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -57.46 -24.21 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.454 ' HB ' HD12 ' A' ' 85' ' ' LEU . 86.6 t -94.26 -49.85 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 31' ' ' GLU . 74.1 t -59.4 -33.74 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.19 19.01 55.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.448 ' CG ' ' N ' ' A' ' 38' ' ' SER . 41.8 t80 -73.51 168.83 18.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 0.772 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.448 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -165.28 83.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' ALA . . . -168.26 143.17 7.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 94' ' ' SER . 1.1 mm? -58.22 164.33 2.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 21.1 p -61.99 96.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 41' ' ' SER . 1.4 m-20 80.14 76.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.76 -59.4 1.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -175.39 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.35 -17.01 20.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 46' ' ' TYR . 7.0 t80 -63.57 -29.3 70.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -64.42 -59.18 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -43.11 -62.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.762 ' HA ' HD12 ' A' ' 52' ' ' ILE . 14.3 mt -43.69 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.486 ' HG3' HD21 ' A' ' 86' ' ' LEU . 2.5 tt0 -48.89 -53.4 19.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' O ' HG22 ' A' ' 54' ' ' THR . 0.9 OUTLIER -45.16 -48.98 12.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 49' ' ' LEU . 19.1 mt -51.35 -64.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 30' ' ' ILE . 41.4 mt -51.42 -52.08 49.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -53.59 -38.72 64.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.432 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -52.52 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.481 ' HB3' HG23 ' A' ' 23' ' ' ILE . 78.2 mm-40 -55.79 -47.31 77.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.252 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.3 tm? -55.08 -57.56 11.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.479 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -47.34 -28.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -78.52 -32.21 47.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 57' ' ' LEU . 47.6 mt -62.24 -49.08 85.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.52 -25.13 67.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.91 -24.77 55.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 t -71.04 115.01 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -78.5 151.5 32.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.1 p -110.23 -50.93 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.22 20.7 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.59 53.88 4.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 71' ' ' ILE . 32.4 mttm -126.64 92.23 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -37.14 -58.21 1.28 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' GLY . 6.3 m-20 -39.02 -44.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.59 HD13 ' HB2' ' A' ' 16' ' ' SER . 96.0 mt -84.77 -57.87 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.23 -49.39 2.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -61.29 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -49.12 -61.43 2.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -42.54 -69.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -50.89 -35.75 34.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -69.59 -23.83 63.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -93.3 -28.1 16.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.3 83.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -83.58 -39.83 19.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -54.6 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.591 HG21 ' HB2' ' A' ' 57' ' ' LEU . 94.6 m -51.08 -61.05 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.368 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -49.65 -44.92 47.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -62.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.496 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 3.1 mm? -51.51 -52.13 49.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.486 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.8 OUTLIER -42.28 -50.89 4.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -56.22 -51.97 66.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' LEU . 3.8 mm-40 -46.19 -55.0 7.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' GLU . 31.6 tp -39.5 -64.65 0.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' LEU . 1.5 mt-10 -38.41 -41.97 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.259 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.96 -60.77 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -44.56 -35.0 2.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 39' ' ' GLY . . . -44.01 -75.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.491 ' HB2' HD22 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -179.54 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.997 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.56 159.78 40.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.91 41.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.559 1.821 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.7 t -58.11 -58.29 9.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.8 p -147.0 -53.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 m -159.5 149.98 19.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 t 60.81 85.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.89 92.11 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m -141.64 136.5 31.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.45 103.91 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.53 101.12 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.18 133.03 48.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -152.84 100.48 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.8 118.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.36 122.27 1.6 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -67.67 154.96 40.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -101.2 87.37 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.242 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.629 ' CE1' HD11 ' A' ' 71' ' ' ILE . 9.5 t-80 -39.61 143.94 0.52 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.528 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -75.02 -15.37 20.73 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.62 ' HB3' HG13 ' A' ' 63' ' ' VAL . 4.4 m -87.86 -41.53 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -66.49 -49.18 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.3 t -54.49 -21.82 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.698 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -84.87 -59.01 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.0 HD11 HG11 ' A' ' 63' ' ' VAL . 11.0 mp -49.08 -49.51 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -46.32 -33.54 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -32.19 28.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.698 HD12 ' HG3' ' A' ' 19' ' ' ARG . 12.0 mt -74.0 -40.55 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -59.75 -60.78 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -48.03 -30.83 4.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ALA . 4.7 mm-40 -71.76 -72.6 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.505 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 9.7 m -45.78 -29.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -79.64 -41.25 27.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' GLU . . . -69.34 -13.81 62.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.505 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.9 pp -113.3 -3.16 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.629 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 21.1 tt0 -55.88 -44.19 99.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.01 -27.85 9.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.432 ' OE1' HG22 ' A' ' 30' ' ' ILE . 57.5 mt-30 -62.41 -21.21 65.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.618 HG22 HD13 ' A' ' 89' ' ' LEU . 54.0 t -97.26 -47.59 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 31' ' ' GLU . 81.6 t -61.82 -38.1 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.34 26.62 23.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 38' ' ' SER . 37.6 t80 -77.47 173.78 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 52.9 p -174.76 79.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.45 -135.28 2.45 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.518 ' C ' ' HB1' ' A' ' 93' ' ' ALA . 8.6 mt -123.28 157.29 33.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 0.774 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.601 ' O ' ' CE2' ' A' ' 46' ' ' TYR . 5.0 p -42.64 -51.02 5.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -136.19 77.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.14 -177.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? 65.71 -110.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -113.8 -11.65 12.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 41' ' ' SER . 7.8 t80 -42.69 -55.08 3.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' TYR . 40.5 mmtt -39.07 -63.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.39 -57.63 5.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.9 ' HA ' HD12 ' A' ' 52' ' ' ILE . 10.7 mt -50.76 -64.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -45.45 -52.43 10.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' NH1' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -50.34 -49.59 53.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.9 HD12 ' HA ' ' A' ' 49' ' ' LEU . 12.5 mt -49.12 -57.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.7 mt -59.78 -52.65 64.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -49.87 -51.44 40.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.42 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.95 -62.26 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.464 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 9.6 mm-40 -48.19 -47.35 35.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 58' ' ' PHE . 1.3 tm? -54.71 -56.67 16.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.48 ' N ' HD13 ' A' ' 57' ' ' LEU . 4.3 t80 -47.8 -27.6 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 63' ' ' VAL . 2.1 mm-40 -79.1 -31.38 44.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' LEU . 65.3 mt -62.69 -42.59 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.7 -24.84 59.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -28.23 58.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 1.0 HG11 HD11 ' A' ' 20' ' ' LEU . 37.3 t -72.7 116.42 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.27 137.87 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.726 HG21 ' HA ' ' A' ' 72' ' ' GLN . 28.1 p -93.49 -45.62 7.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.98 41.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.9 60.12 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -110.23 -27.37 9.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.99 -61.87 2.23 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -41.12 -57.91 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.678 HG22 HG22 ' A' ' 65' ' ' THR . 12.2 mt -72.2 -54.41 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.726 ' HA ' HG21 ' A' ' 65' ' ' THR . 0.0 OUTLIER -39.88 -44.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -66.96 -57.0 7.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -55.38 -68.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.435 ' HG2' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -38.33 -64.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.24 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -40.26 -59.33 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -54.47 -48.99 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.43 -51.8 61.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.03 -39.47 55.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -74.99 -44.51 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -51.99 67.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 57' ' ' LEU . 99.5 m -54.01 -55.66 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.403 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.75 -55.11 33.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.95 -53.79 1.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 2.8 mm? -57.89 -53.66 55.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.57 -47.02 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -54.61 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -40.8 -45.11 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.618 HD13 HG22 ' A' ' 34' ' ' VAL . 7.6 tp -47.85 -56.07 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 19.6 mt-10 -42.11 -58.76 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -65.55 -60.87 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -40.38 -42.39 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.541 ' HB1' ' N ' ' A' ' 41' ' ' SER . . . -39.85 -78.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 95' ' ' GLY . 1.4 t -179.47 -39.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 94' ' ' SER . . . 42.75 -166.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.85 32.98 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.73 135.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.4 p -164.9 88.17 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p 46.79 92.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 110.028 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.02 123.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.939 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.98 70.27 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.5 135.25 9.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 p -179.84 143.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.54 83.11 1.07 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.66 161.5 34.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -174.25 150.84 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.36 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.35 60.64 6.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -179.94 111.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 14' ' ' HIS . 7.6 pt20 -173.85 45.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.541 ' CE1' HD11 ' A' ' 71' ' ' ILE . 8.3 t-80 61.44 139.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.579 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -26.97 10.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.3 m -78.07 -43.04 30.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.408 ' HB ' ' O ' ' A' ' 13' ' ' GLN . 17.2 mm -65.14 -51.54 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.2 t -58.81 -20.14 47.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -82.7 -52.86 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.478 HD11 ' CA ' ' A' ' 75' ' ' ARG . 5.9 mt -58.23 -40.29 81.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -56.31 -33.99 66.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -78.16 -38.38 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.263 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.509 ' O ' HG13 ' A' ' 27' ' ' VAL . 3.7 mt -68.08 -41.28 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -48.15 -25.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 5.0 mm-40 -73.75 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 23' ' ' ILE . 9.7 m -59.19 -38.8 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -34.48 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.77 -2.34 23.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.69 HD11 HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -111.02 -14.22 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.609 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 19.6 tt0 -53.85 -44.68 98.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.97 -27.85 9.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.81 ' HB3' HD21 ' A' ' 49' ' ' LEU . 14.4 mt-30 -67.57 -20.36 65.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.698 HG23 HD23 ' A' ' 49' ' ' LEU . 42.8 t -93.91 -44.08 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 31' ' ' GLU . 88.8 t -65.4 -40.51 88.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.52 23.36 36.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CD2' HD12 ' A' ' 89' ' ' LEU . 11.3 t80 -74.11 152.9 39.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.13 85.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 93' ' ' ALA . . . 176.32 150.93 8.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mt -52.36 175.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.454 ' HA ' ' CE2' ' A' ' 46' ' ' TYR . 1.6 p -65.24 -17.21 64.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -137.76 77.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -120.91 178.81 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.468 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 1.5 mttt -79.49 68.05 5.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 44' ' ' LYS . 0.5 OUTLIER 171.99 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.454 ' CE2' ' HA ' ' A' ' 41' ' ' SER . 13.4 t80 -42.38 -44.04 3.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -46.21 -62.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -38.88 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.81 HD21 ' HB3' ' A' ' 33' ' ' GLN . 7.8 mp -39.31 -64.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -45.34 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' O ' HG22 ' A' ' 54' ' ' THR . 23.4 mmt180 -44.4 -47.13 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.0 mt -55.25 -47.56 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.84 HD13 ' HG ' ' A' ' 86' ' ' LEU . 16.2 mt -65.88 -44.48 85.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -63.28 -34.45 77.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 51' ' ' ARG . 3.7 mptt -74.72 -54.74 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -59.92 -44.31 94.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.717 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.3 tm? -54.23 -56.77 15.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.522 ' N ' HD13 ' A' ' 57' ' ' LEU . 10.1 t80 -47.94 -27.55 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.14 -30.88 43.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' LEU . 58.2 mt -63.11 -43.99 99.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.22 -23.44 62.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -77.31 -31.53 54.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.4 t -64.01 111.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -74.88 150.36 39.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.3 p -115.55 -38.02 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.0 42.1 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.9 65.98 0.84 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -113.16 -36.45 5.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.47 -61.78 0.74 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -40.38 -49.83 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.756 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.541 HD11 ' CE1' ' A' ' 14' ' ' HIS . 37.8 mt -81.07 -54.06 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -40.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -50.42 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' ARG . . . -65.31 -64.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.478 ' CA ' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -37.94 -64.72 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -53.35 -40.6 65.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -66.23 -18.44 65.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.43 ' O ' HD13 ' A' ' 60' ' ' ILE . . . -98.47 -17.96 18.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.35 -32.25 60.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -87.59 -33.14 18.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.61 -52.13 66.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.717 HG21 ' HB2' ' A' ' 57' ' ' LEU . 1.1 m -59.84 -50.63 73.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.17 -47.32 86.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -47.15 -49.51 22.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.455 HD11 ' HG3' ' A' ' 31' ' ' GLU . 4.0 mm? -65.7 -43.52 88.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.84 ' HG ' HD13 ' A' ' 53' ' ' LEU . 4.2 mt -51.01 -43.99 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -58.17 -59.54 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -47.47 -49.83 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.597 HD12 ' CD2' ' A' ' 37' ' ' PHE . 48.6 tp -40.51 -71.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.573 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 39.7 mt-10 -39.78 -40.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.74 -64.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -50.95 -24.7 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -41.09 -72.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 t -179.3 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.36 157.91 26.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.57 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.55 1.816 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.0 m 55.35 79.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.07 112.07 24.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.035 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.452 ' O ' ' CB ' ' A' ' 3' ' ' SER . 4.1 t -175.31 141.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.3 OUTLIER 81.48 157.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.943 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.33 129.09 6.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.4 -59.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 59.62 98.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.998 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.95 -93.09 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -39.68 143.23 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -98.76 158.53 15.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.79 104.27 8.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.99 -132.07 1.33 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.21 104.33 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 0.802 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -83.85 101.79 11.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 16.4 t-80 -43.43 141.35 2.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.573 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.03 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.64 ' HB2' HD13 ' A' ' 71' ' ' ILE . 21.1 m -102.43 -29.88 11.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.046 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' CD1' HG12 ' A' ' 71' ' ' ILE . 20.1 mm -74.66 -46.2 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.5 t -62.25 -40.6 96.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -59.29 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.3 mt -52.96 -37.12 60.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -64.84 -20.54 66.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.58 -10.08 22.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mt -99.47 -35.52 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.407 ' O ' HG22 ' A' ' 27' ' ' VAL . 60.4 mt-30 -67.98 -49.79 59.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -56.84 -22.75 38.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 30' ' ' ILE . 3.5 mm-40 -74.49 -56.87 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.914 HG11 ' OG1' ' A' ' 82' ' ' THR . 19.1 m -62.81 -30.56 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -75.97 -41.11 52.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.92 -13.71 62.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.506 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.1 pp -116.15 -1.5 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.9 tt0 -57.48 -47.12 99.54 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.01 -13.4 21.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -71.65 -28.38 63.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.51 HG22 ' CD2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -95.75 -41.48 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 31' ' ' GLU . 63.0 t -62.56 -34.14 63.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.14 22.43 39.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CG ' ' N ' ' A' ' 38' ' ' SER . 59.6 t80 -79.01 171.79 14.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.515 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -168.31 92.77 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.5 -135.16 1.77 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -139.6 149.15 43.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 2.3 p -57.17 106.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 41' ' ' SER . 3.8 m-20 80.96 88.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.42 -174.0 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -80.08 58.64 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 176.26 -50.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.573 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 6.0 t80 -61.87 -40.22 94.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -51.82 -50.86 60.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.678 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -50.69 -60.0 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.615 ' HB2' HD21 ' A' ' 89' ' ' LEU . 75.6 mt -47.63 -63.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.455 ' OE1' ' CD2' ' A' ' 86' ' ' LEU . 3.0 tt0 -47.73 -43.85 27.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.07 -58.37 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.678 HD12 ' O ' ' A' ' 48' ' ' ARG . 2.7 mp -48.14 -41.9 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.83 -56.68 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.356 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -42.06 64.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -62.99 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.8 mm-40 -46.32 -45.21 17.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.561 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -54.52 -56.81 15.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.502 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -47.91 -27.59 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.941 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -79.07 -31.1 44.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 57' ' ' LEU . 68.0 mt -62.18 -41.63 92.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -72.12 -25.26 61.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -16.12 61.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.066 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.9 t -78.78 116.86 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -78.76 160.78 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.1 p -122.14 -52.65 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.62 26.34 5.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.56 56.24 4.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' ILE . 26.8 mttm -130.28 91.64 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -40.22 -58.41 2.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' GLY . 80.0 m-20 -38.48 -35.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.64 HD13 ' HB2' ' A' ' 16' ' ' SER . 72.7 mt -94.12 -56.85 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.85 -43.16 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -62.26 -60.52 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -50.04 -58.11 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -63.55 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -57.16 -21.63 34.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -83.96 -24.92 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -90.15 -28.18 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.73 -14.44 62.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -99.1 -45.13 6.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -55.35 27.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.914 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.3 m -54.71 -54.4 42.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.97 -24.94 63.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -49.69 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 31' ' ' GLU . 3.0 mt -59.49 -47.11 86.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.455 ' CD2' ' OE1' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -45.75 -27.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -43.69 15.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 85' ' ' LEU . 6.1 mm-40 -60.65 -41.24 94.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 49' ' ' LEU . 8.4 tp -59.05 -51.53 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -35.62 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 110.332 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -59.67 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -52.54 -33.22 44.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -45.09 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.65 -54.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -130.15 156.51 21.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.79 4.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.95 150.8 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.89 91.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 111.029 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -122.32 88.58 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.94 112.33 9.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.18 92.56 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 p -162.53 135.47 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m 60.97 155.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.75 85.5 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.551 1.157 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.85 90.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.773 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -148.61 156.61 42.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.0 99.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.12 -122.11 7.38 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.76 137.47 16.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 68.52 92.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.505 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.1 t-80 -45.7 142.99 3.29 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.599 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.505 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.03 -16.44 20.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.463 ' HB3' HD13 ' A' ' 71' ' ' ILE . 5.3 t -90.78 -17.54 26.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.3 mm -92.46 -55.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 t -52.34 -22.14 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -79.26 -46.29 18.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -62.33 -44.13 97.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -51.63 -34.6 38.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -30.41 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.437 HD12 ' O ' ' A' ' 19' ' ' ARG . 2.6 mt -79.26 -37.21 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -65.29 -57.39 8.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 10.0 ptp180 -49.63 -27.89 5.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -72.64 -70.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.503 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 6.3 m -50.54 -31.14 8.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -36.11 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . -72.43 -5.22 35.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.653 HD11 HD21 ' A' ' 53' ' ' LEU . 2.8 pp -123.9 5.51 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.726 ' HG3' HD21 ' A' ' 85' ' ' LEU . 26.2 tt0 -68.99 -42.87 24.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.0 -0.7 10.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -88.59 -53.48 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.775 HG23 ' HA ' ' A' ' 89' ' ' LEU . 1.2 p -62.7 -39.52 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 31' ' ' GLU . 85.3 t -58.14 -46.47 88.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.16 34.23 5.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.578 ' CD1' HD12 ' A' ' 49' ' ' LEU . 15.4 t80 -87.0 158.78 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.04 102.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -171.76 41.39 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt 50.42 -178.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 70.8 p -104.57 118.0 35.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' SER . 2.6 m-20 81.21 35.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.355 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 6.0 t0 -109.32 177.79 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -72.04 70.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t30 170.79 -48.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -58.91 -42.83 90.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -47.84 -65.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -67.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.805 ' HA ' HD12 ' A' ' 52' ' ' ILE . 74.8 mt -43.61 -65.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.442 ' HG3' HD21 ' A' ' 86' ' ' LEU . 3.0 tt0 -45.1 -51.7 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -56.55 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.805 HD12 ' HA ' ' A' ' 49' ' ' LEU . 11.5 mt -41.21 -43.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.653 HD21 HD11 ' A' ' 30' ' ' ILE . 69.9 mt -71.09 -54.52 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.91 -40.5 57.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.09 . . . . 0.0 110.359 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -67.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -44.84 -45.59 10.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD13 ' N ' ' A' ' 58' ' ' PHE . 1.1 tm? -53.87 -57.25 11.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.558 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -47.78 -27.65 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.49 -31.6 42.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.6 mt -63.24 -50.07 80.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -61.0 -25.21 66.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -47.11 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -45.48 115.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.6 164.15 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.5 p -129.55 -54.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.1 33.68 2.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.6 63.92 2.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -110.66 -29.53 7.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.746 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.2 -64.4 2.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.148 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -39.82 -42.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 0.739 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.463 HD13 ' HB3' ' A' ' 16' ' ' SER . 15.7 mt -89.67 -51.05 12.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.67 -30.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -54.24 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -59.41 -57.16 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HG2' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -48.59 -62.51 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -56.1 -26.28 49.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -79.7 -24.99 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -91.15 -27.68 18.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -18.51 63.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -96.97 -43.08 7.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -60.13 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.442 HG21 ' HB2' ' A' ' 57' ' ' LEU . 3.1 m -48.23 -58.7 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.369 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -56.62 -29.25 61.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -42.56 99.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.752 HD22 ' CG1' ' A' ' 34' ' ' VAL . 8.2 mt -75.09 -51.4 13.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.442 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -40.04 -32.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 85' ' ' LEU . 8.4 mmtm -69.13 -55.71 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.0 mm-40 -55.64 -28.77 57.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.775 ' HA ' HG23 ' A' ' 34' ' ' VAL . 5.1 tp -54.26 -58.63 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.739 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -48.88 -54.84 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -66.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 88' ' ' GLU . 19.0 m-80 -40.95 -37.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -40.25 -73.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t -177.98 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 57.1 158.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 88.01 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 45.64 85.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.5 p -55.84 -56.98 14.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 p -175.61 144.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.79 133.85 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.61 -117.4 2.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 59.87 106.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.86 91.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.951 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.38 167.28 20.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.9 163.24 34.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -63.29 116.94 5.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.81 101.39 6.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.38 -87.22 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.28 126.69 31.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.94 87.0 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.487 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.5 t-80 -40.93 142.28 0.85 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.556 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.487 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.97 -5.07 16.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.529 ' HB2' HD13 ' A' ' 71' ' ' ILE . 41.3 m -96.12 -29.29 14.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.966 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.515 HD11 HG12 ' A' ' 71' ' ' ILE . 24.2 mm -76.25 -48.78 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.0 t -58.32 -19.04 31.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.404 ' HG3' HD12 ' A' ' 23' ' ' ILE . 5.7 tpp180 -81.78 -58.35 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.09 -33.66 53.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -63.45 -28.74 70.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.56 -12.77 38.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.566 HG23 ' OE1' ' A' ' 56' ' ' GLN . 67.9 mt -98.24 -40.57 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.69 -46.35 88.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -23.97 64.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -77.19 -64.33 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.621 HG11 ' OG1' ' A' ' 82' ' ' THR . 13.0 m -54.76 -28.42 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -39.99 38.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.39 -10.56 58.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.673 HD11 HD21 ' A' ' 53' ' ' LEU . 2.5 pp -117.92 7.87 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.7 ' HG3' HD21 ' A' ' 85' ' ' LEU . 28.2 tt0 -70.08 -42.88 18.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.02 0.62 8.7 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -88.59 -55.57 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.8 ' CG1' HD22 ' A' ' 85' ' ' LEU . 1.1 p -64.46 -39.16 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 31' ' ' GLU . 79.6 t -63.56 -39.78 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.51 28.61 12.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 9.0 t80 -84.32 146.49 27.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 111.055 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.404 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -143.54 113.04 6.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.08 -127.07 1.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.561 ' C ' ' HB1' ' A' ' 93' ' ' ALA . 6.8 mt -133.38 -174.55 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.429 ' O ' ' CE1' ' A' ' 46' ' ' TYR . 50.2 p -86.85 7.21 28.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 55.3 t0 -171.06 70.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.5 OUTLIER 159.64 179.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.42 -75.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -171.73 46.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CE1' ' O ' ' A' ' 41' ' ' SER . 44.0 t80 -97.43 -45.39 6.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -50.05 -53.04 29.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -68.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.566 ' HA ' HD12 ' A' ' 52' ' ' ILE . 17.1 mt -42.44 -54.82 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.679 ' HG3' HD21 ' A' ' 86' ' ' LEU . 24.4 tt0 -55.83 -51.71 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 16.6 mmt85 -52.02 -39.66 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.356 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 49' ' ' LEU . 46.0 mt -63.19 -53.58 44.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.673 HD21 HD11 ' A' ' 30' ' ' ILE . 75.5 mt -61.58 -51.91 66.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -46.67 85.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -63.07 -45.97 89.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.566 ' OE1' HG23 ' A' ' 23' ' ' ILE . 9.2 mm-40 -61.29 -51.53 68.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.486 ' C ' HD13 ' A' ' 57' ' ' LEU . 1.1 tm? -51.76 -52.91 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.447 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -51.7 -26.47 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HG3' ' CE ' ' A' ' 55' ' ' LYS . 1.3 mm-40 -81.12 -31.64 34.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.4 mt -61.8 -44.34 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -65.09 -25.53 67.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -36.21 68.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.0 t -58.95 117.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.69 148.64 33.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.9 p -106.96 -48.88 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.449 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.08 27.4 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.38 56.9 10.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' ILE . 3.5 mttm -131.33 93.87 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.265 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -37.81 -57.92 1.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' GLY . 12.8 m-20 -36.79 -40.9 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.529 HD13 ' HB2' ' A' ' 16' ' ' SER . 83.0 mt -89.34 -59.94 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -40.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 4.6 mt-30 -65.09 -56.99 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.06 -52.23 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -69.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -51.06 -31.83 19.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -68.17 -35.61 78.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.11 -39.54 23.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -55.59 -27.64 50.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 84' ' ' ARG . 44.9 mt-30 -89.56 -46.75 8.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -62.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.244 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.621 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.4 m -51.26 -40.84 59.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 9.2 mm-40 -73.7 -21.9 60.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -71.47 -46.75 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.8 HD22 ' CG1' ' A' ' 34' ' ' VAL . 6.0 mt -66.71 -50.47 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.679 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -43.83 -38.42 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -60.08 -46.45 89.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 1.1 mm-40 -63.72 -41.13 98.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.252 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.65 ' HA ' HG23 ' A' ' 34' ' ' VAL . 6.9 tp -45.43 -36.88 4.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -68.77 -48.12 64.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.6 -62.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -42.06 -39.78 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.561 ' HB1' ' C ' ' A' ' 40' ' ' LEU . . . -40.38 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.96 -53.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -153.64 153.15 24.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 56.99 4.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.544 1.813 . . . . 0.0 110.965 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.65 116.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 95.8 p -107.2 160.82 15.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 t -40.84 140.91 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 0.794 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.33 167.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.97 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.12 -84.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 p -171.41 -58.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.46 108.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.25 78.16 1.76 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 ttt -148.7 139.06 22.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -111.76 157.94 19.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.17 163.49 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.84 113.72 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.49 1.118 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 m120 48.57 94.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' HIS . 1.2 tt0 -71.55 92.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.555 ' CE1' HD11 ' A' ' 71' ' ' ILE . 18.0 t-80 -40.12 141.15 0.84 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.05 -13.37 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.509 ' HB3' HG13 ' A' ' 63' ' ' VAL . 19.5 m -93.97 -23.79 17.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 mm -85.2 -40.01 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -59.5 -24.35 63.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 110.068 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.574 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -77.81 -49.64 13.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.545 ' HG ' HG21 ' A' ' 63' ' ' VAL . 7.0 mt -55.71 -40.46 72.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -58.1 -28.14 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.94 -21.62 27.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.574 HD12 ' HG3' ' A' ' 19' ' ' ARG . 8.9 mt -87.54 -37.46 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -64.15 -55.25 23.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 10.1 ptm180 -52.11 -23.64 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.76 -67.38 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.487 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 9.1 m -53.69 -30.11 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -77.57 -40.96 40.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . -68.36 -9.92 51.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.594 HD11 ' CD2' ' A' ' 53' ' ' LEU . 2.6 pp -118.97 3.97 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.756 ' HG3' HD21 ' A' ' 85' ' ' LEU . 21.3 tt0 -64.19 -43.28 73.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.0 0.79 8.48 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' HD13 ' A' ' 49' ' ' LEU . 12.3 mt-30 -94.52 -9.64 34.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.789 HG13 HD22 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -118.93 -38.89 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.52 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 63.1 t -58.53 -54.09 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.73 38.96 2.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 38' ' ' SER . 66.1 t80 -86.96 162.31 17.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.417 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -152.68 123.75 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 156.82 -149.75 20.66 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -109.64 179.07 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.572 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 5.6 m -95.58 35.33 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.5 t0 177.83 56.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.1 -175.8 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 56.99 2.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -177.63 -59.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 41' ' ' SER . 63.5 t80 -41.02 -53.36 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -64.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.405 ' O ' HD12 ' A' ' 52' ' ' ILE . 9.6 ttp180 -44.92 -53.95 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.594 HD12 HD11 ' A' ' 89' ' ' LEU . 19.9 mt -44.96 -53.0 8.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.652 ' HG3' HD21 ' A' ' 86' ' ' LEU . 5.2 tt0 -67.78 -52.09 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -43.93 -42.45 5.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 48' ' ' ARG . 8.4 mt -62.88 -58.71 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.594 ' CD2' HD11 ' A' ' 30' ' ' ILE . 98.3 mt -53.44 -58.15 8.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.72 -43.44 65.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 36.4 tptt -64.28 -64.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 30.2 mm100 -46.13 -43.51 15.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.515 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.1 tm? -52.16 -56.66 13.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.508 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -48.03 -28.25 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 3.7 mm-40 -78.94 -30.46 44.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.457 HG23 HD21 ' A' ' 20' ' ' LEU . 63.7 mt -62.99 -44.25 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -68.79 -30.73 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -39.16 83.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.545 HG21 ' HG ' ' A' ' 20' ' ' LEU . 8.3 t -54.65 111.26 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -66.03 127.87 33.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.582 HG22 HG22 ' A' ' 71' ' ' ILE . 58.3 p -97.3 -47.82 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.37 41.01 20.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.7 49.24 2.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -91.53 -46.19 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 71' ' ' ILE . . . 114.26 -62.25 0.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -43.29 -28.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.582 HG22 HG22 ' A' ' 65' ' ' THR . 26.0 mt -100.74 -51.09 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -24.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -53.13 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -67.1 -57.87 5.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -37.69 -71.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 77' ' ' ARG . 14.3 pttp -49.06 -50.69 35.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 76' ' ' LYS . 15.2 mmt180 -50.4 -43.52 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -72.37 -48.04 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.42 -41.68 52.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -70.57 -46.26 63.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -50.49 63.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.515 HG21 ' HB2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -62.64 -55.71 24.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.393 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -53.77 -28.89 37.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -62.42 -54.55 38.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.789 HD22 HG13 ' A' ' 34' ' ' VAL . 4.2 mt -61.71 -40.43 94.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.652 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -52.63 -22.03 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.91 -39.8 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.59 -45.3 93.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.763 HD13 ' HB ' ' A' ' 34' ' ' VAL . 11.5 tp -42.07 -61.99 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 9.9 mt-10 -43.54 -63.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -53.1 -60.69 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -42.7 -51.78 5.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -41.03 -82.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -168.99 -58.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -71.63 153.24 50.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.143 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.32 7.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.6 t -85.57 -63.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.6 m 59.16 92.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 46.88 94.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 0.726 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -166.91 152.94 8.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.23 110.05 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.8 142.98 42.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 0.783 . . . . 0.0 109.989 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -163.42 160.59 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.142 . . . . 0.0 109.979 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.04 -174.98 39.41 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 mtp -162.65 -58.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -129.4 163.22 26.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -154.95 100.98 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.29 -70.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -119.86 123.44 43.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -90.66 95.41 10.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 13.9 t-80 -39.91 142.74 0.65 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.64 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.0 -1.83 11.74 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.1 m -101.06 -39.64 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mm -62.68 -53.48 46.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.0 t -52.85 -43.66 66.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -57.73 11.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.9 mt -53.01 -39.47 63.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -67.29 -32.47 73.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.01 -23.46 41.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.8 mt -90.52 -39.53 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.414 ' O ' HG22 ' A' ' 27' ' ' VAL . 6.1 mt-30 -61.42 -50.5 72.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -55.86 -31.96 63.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.88 -60.47 2.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.489 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 11.3 m -59.78 -28.84 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -77.23 -40.12 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.64 -11.07 59.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.6 pp -117.81 4.6 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.78 ' O ' HG23 ' A' ' 35' ' ' VAL . 21.0 tt0 -64.94 -42.22 60.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.0 -0.35 9.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.666 ' C ' HD21 ' A' ' 49' ' ' LEU . 9.4 mt-30 -94.02 -10.39 33.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.72 ' HB ' HD13 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -114.16 -32.65 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 31' ' ' GLU . 63.8 t -61.61 -43.32 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.62 31.93 7.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.424 ' HE2' ' HB2' ' A' ' 93' ' ' ALA . 27.2 t80 -85.65 152.8 22.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.59 117.98 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.05 144.9 4.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD23 ' OG ' ' A' ' 94' ' ' SER . 9.1 mt -44.71 165.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.57 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 78.2 p -79.81 53.98 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 173.54 51.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -121.03 173.55 7.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -72.38 66.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 t30 174.78 -48.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.57 ' CD2' ' HA ' ' A' ' 41' ' ' SER . 52.2 t80 -60.62 -49.3 78.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -44.92 -67.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -40.25 -67.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.666 HD21 ' C ' ' A' ' 33' ' ' GLN . 2.9 mp -40.03 -66.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.54 -53.78 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.459 ' O ' HG22 ' A' ' 54' ' ' THR . 0.5 OUTLIER -51.46 -55.86 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.5 mt -48.78 -57.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.467 HD22 HG23 ' A' ' 82' ' ' THR . 35.6 mt -54.27 -58.46 7.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -51.31 -34.33 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.374 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -74.14 -55.01 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -53.97 -47.14 71.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.579 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -55.03 -57.68 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.523 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.9 t80 -47.53 -27.14 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.77 -32.62 40.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.0 mt -62.33 -51.25 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -60.05 -24.84 64.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.52 -30.27 57.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.61 114.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -74.81 151.99 39.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.3 p -110.56 -36.88 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 59.75 25.09 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.88 56.7 10.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -129.46 100.85 5.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -38.38 -56.8 1.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' GLY . 21.8 m-20 -38.7 -55.59 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.421 HD11 ' CE1' ' A' ' 14' ' ' HIS . 78.3 mt -73.57 -58.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -37.52 -54.11 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.34 -59.48 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -50.56 -61.7 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -44.88 -69.66 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -48.83 -40.41 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -64.94 -28.65 69.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -86.77 -36.75 18.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.92 -18.55 45.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' ARG . 94.4 mt-30 -99.86 -49.57 4.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.84 -52.69 10.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.579 HG21 ' HB2' ' A' ' 57' ' ' LEU . 2.8 m -58.13 -60.57 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -58.01 -16.31 12.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -74.2 -46.52 41.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.714 HD22 ' CG1' ' A' ' 34' ' ' VAL . 5.2 mt -70.09 -43.72 70.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.409 ' HG ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -40.08 -38.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -62.25 -68.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -39.47 -41.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 110.293 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.72 HD13 ' HB ' ' A' ' 34' ' ' VAL . 10.2 tp -49.7 -47.98 50.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.717 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 2.6 tt0 -71.28 -54.74 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.14 -56.26 6.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' ALA . 4.8 m-20 -58.77 -40.69 84.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -40.2 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.467 ' OG ' HD23 ' A' ' 40' ' ' LEU . 21.5 p -177.46 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 57.76 157.27 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -47.16 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 p -158.07 132.34 8.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.6 p -98.66 164.53 12.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -163.41 -58.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.984 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.7 m 62.21 164.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.44 -127.21 1.5 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m 61.97 117.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 0.735 . . . . 0.0 109.976 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.18 158.34 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.65 106.15 2.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.21 141.78 51.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -140.99 163.64 32.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.29 117.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.14 -107.65 0.44 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -137.63 152.03 48.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 14' ' ' HIS . 49.0 tt0 -136.05 48.85 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.64 ' CE1' HD11 ' A' ' 71' ' ' ILE . 10.9 t-80 61.07 141.73 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.627 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.06 -18.38 18.65 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.447 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 54.5 m -90.76 -42.6 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 mm -72.06 -47.31 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -59.04 -28.36 66.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 4.0 tpp180 -63.02 -59.67 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.604 HD12 ' NH2' ' A' ' 75' ' ' ARG . 12.5 mt -48.5 -38.04 19.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -63.82 -29.56 70.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' ARG . 8.0 tt0 -86.88 -12.97 46.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLU . 2.2 mt -99.4 -54.87 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -45.78 -41.01 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.23 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -64.18 -32.83 74.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' ILE . 3.4 mm-40 -71.73 -62.36 1.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.489 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 15.7 m -53.49 -32.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -76.94 -40.29 47.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.22 -11.1 60.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.3 pp -118.68 -1.21 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.668 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.2 tt0 -59.37 -46.67 98.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.05 -10.3 21.07 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.439 1.757 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -79.97 -15.99 56.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.691 ' CG2' HD12 ' A' ' 85' ' ' LEU . 1.5 m -109.43 -34.99 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 31' ' ' GLU . 81.7 t -62.47 -45.37 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.2 31.97 8.09 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 38' ' ' SER . 9.2 t80 -84.53 154.03 22.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.475 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 36.9 m -146.67 107.79 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.422 ' O ' ' CZ ' ' A' ' 37' ' ' PHE . . . 157.02 139.32 2.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.52 177.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' ASP . 32.8 p -94.52 177.03 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 41' ' ' SER . 5.3 m-20 38.99 52.21 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -133.26 165.26 25.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -68.3 68.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' ASP . 8.7 m-20 172.97 -45.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.53 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 28.8 t80 -72.18 -23.28 61.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -65.62 -47.42 75.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -54.57 -49.35 70.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.4 mt -60.64 -64.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -49.46 -54.86 15.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -44.37 -51.42 8.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.423 HD12 ' O ' ' A' ' 48' ' ' ARG . 19.0 mt -50.38 -62.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' CD2' HD11 ' A' ' 30' ' ' ILE . 58.7 mt -53.89 -56.26 19.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -48.11 -49.36 32.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.451 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' N ' HG22 ' A' ' 54' ' ' THR . 0.3 OUTLIER -61.59 -57.83 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -51.2 -50.57 58.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.643 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -53.55 -60.95 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.529 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.8 t80 -46.67 -30.51 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.22 -31.34 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.522 HG23 ' HG3' ' A' ' 75' ' ' ARG . 39.7 mt -62.19 -49.29 84.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -69.93 -35.36 74.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -58.98 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 19' ' ' ARG . 18.5 t -40.76 115.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -59.6 165.81 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.537 HG22 HG22 ' A' ' 71' ' ' ILE . 45.5 p -136.67 -48.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.93 43.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.12 64.19 0.83 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -110.42 -21.05 12.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 80.21 -67.48 3.46 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' GLY . 28.4 m-20 -39.14 -36.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.64 HD11 ' CE1' ' A' ' 14' ' ' HIS . 94.9 mt -92.7 -53.17 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.64 -48.2 28.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.255 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -52.77 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.96 -55.85 17.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.604 ' NH2' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.32 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.295 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 75' ' ' ARG . 17.4 ptmt -39.69 -38.44 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -47.98 63.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.535 ' CB ' HD22 ' A' ' 20' ' ' LEU . . . -66.25 -47.84 72.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.04 -53.74 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -54.03 -49.22 69.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.34 -61.77 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.643 HG21 ' HB2' ' A' ' 57' ' ' LEU . 47.1 m -44.84 -61.01 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.69 -50.1 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.22 -52.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.691 HD12 ' CG2' ' A' ' 34' ' ' VAL . 1.4 mm? -63.89 -55.1 25.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.32 -49.02 2.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -61.02 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' ASN . 3.0 mm-40 -46.99 -53.0 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.53 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 46.8 tp -41.17 -60.54 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.766 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 8.0 mt-10 -42.83 -59.56 1.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 93' ' ' ALA . 1.7 mm-40 -60.48 -64.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' GLU . 4.3 m-80 -39.98 -31.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -51.68 -72.43 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t 179.82 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.82 174.66 36.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 163.38 35.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.7 t -138.13 156.51 47.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.943 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 m -145.4 -57.91 0.33 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.512 1.132 . . . . 0.0 109.98 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.89 166.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 m -45.13 129.73 7.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.77 -101.39 1.8 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.155 . . . . 0.0 111.045 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t 45.35 90.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 109.992 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.61 140.14 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.173 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.08 155.67 6.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.44 152.19 18.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -64.53 -55.05 23.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.84 127.91 38.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 166.89 -152.59 21.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -74.07 120.02 19.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.44 94.23 9.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.509 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.2 t-80 -43.76 143.08 1.75 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.579 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.99 -18.93 18.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.425 ' HB2' HD13 ' A' ' 71' ' ' ILE . 8.5 m -87.21 -32.53 19.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 mm -75.5 -51.03 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.7 t -56.65 -18.36 11.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.627 ' HG3' HD12 ' A' ' 23' ' ' ILE . 2.9 tpp180 -84.45 -59.38 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 110.357 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -49.41 -43.74 44.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -52.62 -30.62 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.59 -29.71 25.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.627 HD12 ' HG3' ' A' ' 19' ' ' ARG . 7.6 mt -77.44 -35.24 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' O ' HG22 ' A' ' 27' ' ' VAL . 2.7 mm-40 -67.92 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 8.6 ptm180 -45.42 -25.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.05 -67.03 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.667 HG11 ' OG1' ' A' ' 82' ' ' THR . 14.6 m -51.86 -29.69 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -80.21 -41.27 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -71.59 -3.92 24.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.0 pp -124.27 0.08 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.948 ' HG3' HD11 ' A' ' 85' ' ' LEU . 8.1 tt0 -62.49 -45.26 89.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.97 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.807 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -87.4 -20.59 26.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.621 HG22 HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -101.59 -36.58 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 31' ' ' GLU . 59.9 t -63.75 -40.85 90.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.77 29.76 11.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 14.6 t80 -83.17 152.18 25.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.66 92.64 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.72 128.43 1.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.469 ' HG ' ' CB ' ' A' ' 94' ' ' SER . 0.3 OUTLIER -60.25 140.62 56.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' LEU . 13.9 p -38.31 116.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.05 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.8 t0 63.48 74.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.08 21.11 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 79.31 45.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -179.83 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.42 ' CE1' ' HG ' ' A' ' 89' ' ' LEU . 51.2 t80 -55.4 -41.73 73.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -48.32 -61.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' LYS . 3.5 ttm-85 -38.38 -58.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.69 ' HA ' HD12 ' A' ' 52' ' ' ILE . 76.1 mt -47.51 -62.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.574 ' HG3' HD21 ' A' ' 86' ' ' LEU . 6.5 tt0 -53.06 -52.83 57.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -42.16 -43.25 3.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 49' ' ' LEU . 10.3 mt -59.89 -63.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD13 ' CA ' ' A' ' 86' ' ' LEU . 29.9 mt -53.56 -57.0 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -51.64 -49.41 62.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -58.96 -56.54 20.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 25.7 mm100 -52.4 -46.78 66.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.644 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.0 OUTLIER -51.66 -54.19 30.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.511 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.8 t80 -50.64 -26.83 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -80.49 -31.34 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.41 HG12 HG21 ' A' ' 23' ' ' ILE . 57.2 mt -61.82 -42.07 93.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.51 -28.11 66.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -39.74 78.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.01 116.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -75.54 168.48 19.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.1 p -129.97 -55.35 1.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.92 38.04 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.76 65.26 1.83 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -112.25 -32.86 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.82 -63.4 2.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -40.29 -47.69 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.425 HD13 ' HB2' ' A' ' 16' ' ' SER . 38.5 mt -82.31 -54.08 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -45.45 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -49.17 78.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -63.39 -60.17 3.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -42.58 -70.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -44.2 -50.67 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.484 ' N ' ' CG ' ' A' ' 76' ' ' LYS . 17.2 mmt85 -56.63 -37.16 70.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -74.5 -41.99 59.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.9 -41.98 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -75.26 -44.27 46.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -60.64 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.667 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.5 m -47.03 -60.61 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.5 -47.81 38.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -66.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.948 HD11 ' HG3' ' A' ' 31' ' ' GLU . 4.1 mm? -50.61 -51.51 48.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.574 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -41.57 -49.43 4.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -52.85 63.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -52.84 -39.04 62.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 49' ' ' LEU . 4.1 tp -54.12 -62.56 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 35.7 mt-10 -40.34 -56.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -62.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -40.72 -37.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -44.2 -73.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.469 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -178.39 -41.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.16 172.51 29.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 166.11 29.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.7 m -82.82 104.43 13.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t -169.92 -58.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m 52.69 74.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 p -167.7 123.56 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.039 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.37 121.97 0.59 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 t -124.52 162.27 24.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -107.79 95.84 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.0 162.47 18.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.429 1.08 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.74 138.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -167.5 99.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.76 83.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.39 114.38 0.77 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.7 m120 58.7 163.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 14' ' ' HIS . 12.9 tt0 -139.51 45.01 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.575 ' CE1' HD11 ' A' ' 71' ' ' ILE . 9.5 t-80 60.77 143.29 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.626 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.01 -20.97 16.32 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.494 ' OG ' HG13 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -87.68 -54.28 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.979 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -56.04 -48.49 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 t -60.8 -19.58 59.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.017 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.482 ' O ' HD12 ' A' ' 23' ' ' ILE . 7.1 tpp180 -79.78 -51.42 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.968 HD11 HG11 ' A' ' 63' ' ' VAL . 9.4 mp -56.17 -40.42 73.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -66.64 -23.89 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.34 -5.97 53.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.601 HD11 ' OE1' ' A' ' 59' ' ' GLU . 2.5 mt -111.36 -36.09 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -62.35 -49.93 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -55.99 -28.4 57.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.02 -63.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.73 HG11 ' OG1' ' A' ' 82' ' ' THR . 13.1 m -55.29 -30.2 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -41.07 28.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -69.16 -13.95 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.629 HG21 HG21 ' A' ' 52' ' ' ILE . 2.2 pp -112.91 4.76 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.693 ' O ' HG23 ' A' ' 35' ' ' VAL . 25.6 tt0 -66.01 -42.69 53.5 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.96 -0.99 10.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.725 ' C ' HD21 ' A' ' 49' ' ' LEU . 46.5 mt-30 -92.02 -7.21 49.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.664 ' CG1' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -122.94 -37.75 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 31' ' ' GLU . 25.3 t -37.95 -69.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.38 49.67 0.83 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.499 ' CG ' ' N ' ' A' ' 38' ' ' SER . 29.3 t80 -81.06 164.86 22.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.499 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 91.7 p -146.49 105.73 3.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.452 ' HA3' ' CZ ' ' A' ' 37' ' ' PHE . . . 178.64 147.87 7.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.2 145.23 51.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.1 p -39.67 108.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.485 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 1.5 m-20 72.81 82.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.5 OUTLIER 163.22 162.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 69.21 -97.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' TYR . 2.8 t-20 -116.8 -36.96 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.522 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 3.6 t80 -35.47 -40.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm -48.34 -60.25 2.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -59.06 -54.4 47.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.725 HD21 ' C ' ' A' ' 33' ' ' GLN . 2.3 mp -40.73 -59.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 54' ' ' THR . 5.0 tt0 -49.89 -63.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 54' ' ' THR . 13.4 mmt180 -45.22 -52.66 9.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.629 HG21 HG21 ' A' ' 30' ' ' ILE . 66.5 mt -49.01 -60.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.601 HD22 HG23 ' A' ' 82' ' ' THR . 44.6 mt -57.26 -56.55 20.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -45.13 -38.14 4.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -48.8 34.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -59.75 -47.75 84.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.646 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.4 tm? -54.73 -57.73 10.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.535 ' N ' HD13 ' A' ' 57' ' ' LEU . 2.1 t80 -47.41 -28.19 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.601 ' OE1' HD11 ' A' ' 23' ' ' ILE . 1.3 mm-40 -78.1 -32.38 50.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 57' ' ' LEU . 33.0 mt -62.96 -47.59 92.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.69 -15.47 62.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.47 -36.7 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.968 HG11 HD11 ' A' ' 20' ' ' LEU . 24.7 t -60.24 117.3 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -83.84 137.35 33.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -98.38 -32.49 11.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.78 40.48 26.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.98 56.78 20.53 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' ILE . 23.7 mttm -129.89 91.0 3.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 0.738 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -39.41 -58.18 2.1 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 69' ' ' GLY . 1.5 m-20 -38.7 -37.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.376 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.575 HD11 ' CE1' ' A' ' 14' ' ' HIS . 97.8 mt -91.77 -56.63 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.32 -45.88 6.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -54.77 43.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -56.83 -54.58 44.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -50.21 -67.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -49.73 -25.22 2.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 5.0 mmm180 -81.86 -31.99 31.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -79.17 -22.1 45.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.4 -35.67 76.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -80.27 -37.77 32.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -62.8 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.73 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -50.64 -58.95 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -49.7 -39.66 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.89 -60.33 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.664 HD12 ' CG1' ' A' ' 34' ' ' VAL . 3.5 mm? -56.76 -52.01 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.46 ' HG ' HD13 ' A' ' 53' ' ' LEU . 1.4 mt -40.96 -60.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mmmt -39.87 -54.72 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.64 -40.49 83.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.522 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 9.5 tp -44.27 -28.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.549 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.7 OUTLIER -84.73 -54.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -58.03 -56.08 26.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 35' ' ' VAL . 1.3 m-80 -52.31 -44.78 65.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -40.47 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t -171.38 -40.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.041 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 61.66 161.5 0.17 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -45.91 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.81 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.9 m -102.02 118.0 35.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.62 167.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t -113.15 -58.41 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.996 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.14 145.37 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.56 -140.25 6.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.89 147.33 30.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 m -132.99 138.79 46.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.21 140.2 5.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.108 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -175.31 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -116.87 160.77 20.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -108.65 136.09 48.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.67 -124.06 6.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -59.65 156.4 13.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 14' ' ' HIS . 47.3 tt0 -132.96 43.0 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.59 ' CE1' HD11 ' A' ' 71' ' ' ILE . 18.4 t-80 61.33 139.5 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.638 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -75.02 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 50.6 m -107.9 -48.06 3.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.2 mm -63.37 -40.22 88.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 t -60.12 -34.9 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -63.98 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.042 ' CD1' HG21 ' A' ' 63' ' ' VAL . 1.3 mp -44.68 -36.87 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.51 -40.38 85.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -77.81 -11.16 59.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.508 HG23 ' HB3' ' A' ' 56' ' ' GLN . 1.7 mt -100.7 -30.01 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.528 ' O ' HG22 ' A' ' 27' ' ' VAL . 50.6 mt-30 -68.54 -53.15 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 26' ' ' GLU . 3.4 ptm180 -54.02 -22.06 9.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.3 mm-40 -75.4 -56.27 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 24' ' ' GLN . 20.3 m -61.36 -29.2 45.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -77.45 -37.76 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.234 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.65 -9.36 58.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.501 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.3 pp -120.15 3.66 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 24.8 tt0 -66.27 -43.25 53.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.01 1.13 8.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.639 ' C ' HD21 ' A' ' 49' ' ' LEU . 16.2 mt-30 -93.82 -12.01 29.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.728 ' CG1' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -113.45 -33.26 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.35 -43.31 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.35 22.08 42.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.462 ' CG ' ' N ' ' A' ' 38' ' ' SER . 84.4 t80 -73.75 169.79 16.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.462 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -167.61 103.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.74 -161.52 35.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 mt -100.81 175.38 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.7 p -86.81 49.68 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 167.88 55.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -116.66 175.98 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -75.74 59.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.44 -55.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.531 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 56.3 t80 -46.78 -50.09 18.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -54.72 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.61 -67.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.639 HD21 ' C ' ' A' ' 33' ' ' GLN . 2.8 mp -41.9 -65.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 54' ' ' THR . 2.8 tt0 -40.18 -55.95 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' O ' HG22 ' A' ' 54' ' ' THR . 16.0 mmt85 -55.76 -50.04 71.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -52.35 -55.24 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.09 -58.41 8.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -50.19 -44.3 52.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -60.35 -63.76 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.508 ' HB3' HG23 ' A' ' 23' ' ' ILE . 44.1 mm-40 -44.44 -51.38 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.646 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -54.1 -57.44 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.51 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.3 t80 -47.73 -27.54 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 1.6 mm-40 -79.39 -32.25 43.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' LEU . 53.1 mt -61.61 -49.38 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.86 -29.86 68.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -38.57 91.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 1.042 HG21 ' CD1' ' A' ' 20' ' ' LEU . 3.5 t -59.58 111.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -79.47 115.6 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.719 HG22 HG22 ' A' ' 71' ' ' ILE . 22.9 p -84.68 -14.89 47.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 39.1 45.52 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.59 59.21 1.64 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -103.82 -20.93 13.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.38 -50.06 4.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -49.51 -57.27 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.719 HG22 HG22 ' A' ' 65' ' ' THR . 12.7 mt -75.11 -54.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' ILE . 7.7 mt-30 -76.05 -58.13 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -62.96 -46.05 89.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.46 ' NE ' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -50.46 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -27.57 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -76.49 -34.12 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -81.2 -33.5 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.63 85.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.53 -41.51 75.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.646 HG21 ' HB2' ' A' ' 57' ' ' LEU . 52.3 m -46.62 -62.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -48.48 -47.1 38.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.34 -60.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.728 HD12 ' CG1' ' A' ' 34' ' ' VAL . 1.8 mm? -56.52 -48.36 77.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.68 -62.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -43.67 -58.35 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -47.3 -45.6 24.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.659 ' HA ' HG23 ' A' ' 34' ' ' VAL . 8.8 tp -41.89 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 3.0 mt-10 -38.56 -61.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.14 -64.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -40.17 -51.72 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -40.44 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -168.85 -70.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -71.57 155.25 52.09 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.583 1.177 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.08 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.025 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -166.94 -56.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.8 p -161.56 133.28 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 48.22 82.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.85 153.66 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.76 -92.0 1.6 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t 61.39 95.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.77 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 p -175.89 153.93 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.52 164.8 33.7 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.28 132.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -165.06 147.4 8.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -139.84 150.15 44.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.11 -116.61 3.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -84.69 133.35 34.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -85.23 108.53 17.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.468 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 12.3 t-80 -45.12 141.71 3.16 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.585 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.99 -15.43 20.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.647 ' HB2' HD13 ' A' ' 71' ' ' ILE . 48.0 m -91.59 -34.8 14.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 71' ' ' ILE . 16.5 mm -67.48 -55.32 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.8 t -48.54 -44.57 36.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -53.79 -59.15 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 74' ' ' ALA . 38.7 mt -49.72 -47.06 50.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.25 -21.67 65.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.2 tt0 -95.05 -16.51 22.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.582 HG23 ' HB3' ' A' ' 56' ' ' GLN . 4.4 mt -91.69 -38.05 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.31 -46.94 86.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -58.64 -29.75 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 30' ' ' ILE . 3.5 mm-40 -68.94 -59.89 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.781 HG11 ' OG1' ' A' ' 82' ' ' THR . 12.7 m -59.95 -32.07 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -43.51 65.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.7 -20.92 65.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.548 HG21 HG21 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -109.11 6.22 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.679 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 22.8 tt0 -64.45 -40.45 50.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.03 -30.34 7.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.716 ' HB3' HD21 ' A' ' 49' ' ' LEU . 23.5 mt-30 -62.66 -21.56 65.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.54 ' HB ' HD12 ' A' ' 85' ' ' LEU . 74.4 t -93.23 -48.95 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.57 -38.87 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.67 19.02 56.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CD2' HD12 ' A' ' 89' ' ' LEU . 15.4 t80 -68.06 174.12 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.99 89.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.464 ' O ' ' CA ' ' A' ' 93' ' ' ALA . . . 170.74 172.25 36.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.76 178.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.79 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.6 p -92.72 32.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 4.3 p-10 179.0 47.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 45' ' ' ASN . 1.3 t70 175.92 -173.91 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt 68.52 -73.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' ASP . 18.4 t-20 -170.38 33.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CE2' ' OE1' ' A' ' 50' ' ' GLU . 66.0 t80 -81.69 -36.93 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -70.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' LEU . 3.5 tpt85 -38.53 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.814 ' HA ' HD12 ' A' ' 52' ' ' ILE . 5.8 mp -38.9 -61.29 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.427 ' OE1' ' CE2' ' A' ' 46' ' ' TYR . 3.4 tt0 -47.31 -58.84 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' O ' HG22 ' A' ' 54' ' ' THR . 7.7 mtt180 -43.69 -47.97 7.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 49' ' ' LEU . 14.8 mt -54.3 -71.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.543 HD22 HG23 ' A' ' 82' ' ' THR . 39.6 mt -44.28 -55.67 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -50.59 -34.5 26.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -77.07 -46.65 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.582 ' HB3' HG23 ' A' ' 23' ' ' ILE . 94.3 mm-40 -61.5 -46.09 91.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.635 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.1 tm? -53.97 -57.22 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.525 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.7 t80 -47.77 -27.67 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.521 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -79.11 -32.07 44.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.431 ' CG2' ' HG2' ' A' ' 75' ' ' ARG . 26.0 mt -62.5 -48.12 89.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.76 -31.53 72.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -35.7 81.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.413 HG13 ' HB3' ' A' ' 16' ' ' SER . 3.2 t -58.66 114.69 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -85.51 130.95 34.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 67' ' ' GLY . 81.3 p -113.59 85.67 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.68 63.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' THR . . . 37.42 63.81 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -112.69 -31.51 6.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.734 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.44 -63.85 2.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -41.71 -42.57 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 16' ' ' SER . 29.4 mt -86.43 -52.3 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.404 ' HA ' HG21 ' A' ' 65' ' ' THR . 0.1 OUTLIER -45.06 -43.94 9.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -59.72 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 20' ' ' LEU . . . -49.86 -67.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.431 ' HG2' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -40.97 -63.23 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -40.37 -59.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -56.99 -46.71 82.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.41 -49.86 68.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' CA ' HG21 ' A' ' 60' ' ' ILE . . . -49.33 -44.71 44.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -72.16 -44.82 62.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.74 -62.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.781 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -47.82 -61.52 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.365 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.89 -37.28 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -44.44 83.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.54 HD12 ' HB ' ' A' ' 34' ' ' VAL . 1.6 mm? -73.47 -44.03 58.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.52 ' HG ' HD13 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -54.62 -42.16 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -33.47 64.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 1.3 mm-40 -68.59 -17.55 64.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.602 HD12 ' CD2' ' A' ' 37' ' ' PHE . 45.1 tp -86.69 -59.94 2.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 91' ' ' GLN . 8.5 pt-20 -46.3 -36.76 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 1.4 mt-30 -76.03 -61.08 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 27.9 m-20 -52.02 -28.17 16.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.464 ' CA ' ' O ' ' A' ' 39' ' ' GLY . . . -46.05 -72.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.0 t -178.99 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 55.87 173.16 0.14 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 164.3 33.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 99' ' ' GLY . 52.0 p -89.95 133.47 34.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.2 m 62.9 -81.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 97' ' ' SER . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -85.17 90.45 7.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 p -45.81 111.06 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.2 -170.45 43.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 p -174.72 153.38 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m 53.86 94.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.28 102.0 0.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 mtm -157.84 94.0 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.64 166.87 11.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -159.6 133.81 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 130.53 -123.67 4.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -72.81 103.51 3.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -87.28 93.99 9.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.493 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.7 t-80 -40.83 143.01 0.75 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.1 Cg_endo -75.01 -32.69 5.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.768 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.424 ' HB3' HG13 ' A' ' 63' ' ' VAL . 49.3 m -71.81 -34.71 69.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.462 ' CD1' HG12 ' A' ' 71' ' ' ILE . 18.2 mm -68.04 -59.15 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.9 t -51.33 -27.14 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -73.54 -68.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -53.64 -25.43 17.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -72.57 -29.94 63.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.29 -25.41 54.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.574 HG21 HG12 ' A' ' 60' ' ' ILE . 1.4 mt -79.58 -24.67 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.483 ' O ' HG22 ' A' ' 27' ' ' VAL . 6.0 mt-30 -68.03 -52.57 34.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -28.23 46.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.65 -62.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.606 HG11 ' OG1' ' A' ' 82' ' ' THR . 15.9 m -54.27 -28.15 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -78.64 -39.45 37.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.88 -11.62 60.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 34' ' ' VAL . 2.6 pp -115.63 -3.72 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 13.3 tt0 -55.0 -44.41 99.59 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.06 -39.27 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -53.94 -20.74 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.63 HG22 HD13 ' A' ' 49' ' ' LEU . 63.5 t -94.43 -50.9 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 31' ' ' GLU . 95.1 t -58.1 -38.05 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.62 26.96 22.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' A' ' 38' ' ' SER . 36.3 t80 -75.7 162.99 27.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -150.55 102.73 3.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 93' ' ' ALA . . . 172.89 158.85 18.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.42 143.47 29.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 83.4 p -40.85 107.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 41' ' ' SER . 2.2 m-20 82.38 101.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -164.01 -175.32 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.71 63.45 2.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 172.07 -54.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.534 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 29.6 t80 -48.08 -47.02 34.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -47.01 -45.63 21.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -52.43 -66.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.85 ' HA ' HD12 ' A' ' 52' ' ' ILE . 18.1 mt -45.19 -62.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -50.02 -37.6 33.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' O ' HG22 ' A' ' 54' ' ' THR . 7.6 mmt180 -66.36 -35.97 81.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 49' ' ' LEU . 23.0 mt -61.24 -65.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.494 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . 3.9 mm? -45.62 -62.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -48.85 -53.0 21.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 54' ' ' THR . 1.1 tmtt? -54.54 -53.86 48.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -57.77 -47.4 82.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.829 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.9 OUTLIER -50.59 -54.85 19.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.545 ' N ' HD13 ' A' ' 57' ' ' LEU . 4.1 t80 -51.1 -26.2 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.447 ' OE1' HD11 ' A' ' 23' ' ' ILE . 3.6 mm-40 -81.59 -29.95 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.574 HG12 HG21 ' A' ' 23' ' ' ILE . 7.3 mt -66.22 -50.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.15 -27.68 68.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -35.07 78.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.664 HG11 ' HB3' ' A' ' 20' ' ' LEU . 3.6 t -69.19 108.39 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -62.19 172.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.762 HG22 HG22 ' A' ' 71' ' ' ILE . 25.7 p -131.94 -50.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 65.42 51.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.63 37.64 61.62 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.536 1.148 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -111.0 90.42 3.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.75 -40.82 12.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -50.82 -22.26 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.762 HG22 HG22 ' A' ' 65' ' ' THR . 80.8 mt -103.42 -50.03 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -39.64 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -60.77 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB3' HD21 ' A' ' 20' ' ' LEU . . . -50.33 -69.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.731 ' HG3' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -38.8 -61.91 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.81 -63.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -49.14 -31.5 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 75' ' ' ARG . . . -77.27 -37.2 53.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -60.63 -37.42 81.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -75.91 -42.38 49.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -49.26 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.829 HG21 ' HB2' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -59.91 -65.5 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.478 ' N ' HG22 ' A' ' 82' ' ' THR . 0.9 OUTLIER -44.92 -51.03 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -49.99 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 3.1 mm? -64.13 -45.25 89.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.494 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -43.17 -58.04 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 88' ' ' GLU . 7.1 mmmt -52.72 -55.97 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 87' ' ' LYS . 1.9 mm-40 -38.08 -47.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.544 ' CD1' HD12 ' A' ' 49' ' ' LEU . 33.4 tp -43.84 -59.65 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.64 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 28.2 mt-10 -45.51 -44.25 12.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -66.7 -65.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -48.16 -29.73 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -46.06 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 167.81 -52.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.54 161.77 45.42 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 148.02 34.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.789 . . . . 0.0 111.007 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.53 122.13 24.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 m -134.74 144.42 47.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.37 131.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 110.023 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m 61.78 158.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.83 64.93 0.99 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.3 81.8 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.022 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -147.43 136.58 22.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.31 97.93 0.21 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.89 122.65 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.13 -56.26 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.32 167.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.59 -106.39 0.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -51.77 119.9 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -71.05 99.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.494 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.2 t-80 -44.45 142.72 2.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.494 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.03 -23.02 14.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.549 ' HB2' HD13 ' A' ' 71' ' ' ILE . 41.5 m -85.93 -16.91 36.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.001 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 mm -89.84 -55.39 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.9 t -44.76 -34.31 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.597 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -61.66 -57.68 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.743 HD21 ' HA ' ' A' ' 75' ' ' ARG . 9.4 mt -56.62 -20.9 23.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -86.25 -16.05 38.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -99.22 -16.04 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.597 HD12 ' HG3' ' A' ' 19' ' ' ARG . 31.2 mt -97.49 -43.4 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 24.1 mt-30 -58.38 -42.45 87.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -63.74 -27.91 69.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.36 -61.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.855 HG11 ' OG1' ' A' ' 82' ' ' THR . 18.2 m -53.76 -29.34 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 24' ' ' GLN . 1.4 mmtp -75.92 -45.17 36.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.54 -10.35 50.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.635 HD11 ' CD2' ' A' ' 53' ' ' LEU . 1.1 pp -120.82 -2.05 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 18.3 tt0 -55.27 -44.53 99.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.5 Cg_endo -75.02 -20.03 17.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -70.3 -19.27 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.352 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' HB ' HD22 ' A' ' 85' ' ' LEU . 72.6 t -100.98 -44.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 31' ' ' GLU . 59.0 t -62.6 -38.31 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.17 26.51 24.02 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 17.4 t80 -79.14 155.56 28.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.81 100.42 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 93' ' ' ALA . . . 165.28 144.87 4.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -48.08 171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.578 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 19.4 m -89.67 44.54 1.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 176.0 55.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -127.62 173.07 10.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 61.81 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -177.35 -47.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 41' ' ' SER . 72.2 t80 -57.92 -49.61 76.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -48.12 -53.47 16.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -51.89 -61.09 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.846 ' HA ' HD12 ' A' ' 52' ' ' ILE . 68.4 mt -44.65 -64.49 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.786 ' HG3' HD21 ' A' ' 86' ' ' LEU . 16.3 tt0 -51.26 -44.79 61.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -52.34 -41.5 63.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.846 HD12 ' HA ' ' A' ' 49' ' ' LEU . 11.5 mt -60.82 -59.65 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.635 ' CD2' HD11 ' A' ' 30' ' ' ILE . 97.2 mt -56.08 -56.19 23.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -53.9 -44.53 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 4.3 tptm -64.79 -53.14 51.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 42.3 mm-40 -55.6 -49.15 73.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.556 ' C ' HD13 ' A' ' 57' ' ' LEU . 1.4 tm? -53.01 -54.1 40.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.456 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.1 t80 -50.3 -26.75 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.522 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -79.83 -30.31 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.436 ' O ' ' CD ' ' A' ' 75' ' ' ARG . 55.9 mt -65.04 -44.92 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -72.96 -4.69 33.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.63 -56.49 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.567 HG12 ' HD2' ' A' ' 75' ' ' ARG . 1.6 p -57.08 129.65 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -84.62 175.8 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -130.72 -44.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 79.16 45.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.35 63.64 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -112.32 -32.96 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 98.89 -65.05 0.71 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.56 1.163 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' GLY . 36.7 m-20 -39.82 -52.11 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 16' ' ' SER . 35.3 mt -75.19 -55.89 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.488 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -42.5 -55.05 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 0.7 OUTLIER -53.2 -41.08 64.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.428 ' CB ' HD13 ' A' ' 20' ' ' LEU . . . -67.1 -66.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.743 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -39.01 -57.86 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.488 ' CE ' ' OE1' ' A' ' 72' ' ' GLN . 14.1 ptpt -57.61 -42.29 82.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 17.6 mmt180 -62.49 -45.21 94.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.06 97.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -55.76 -37.01 67.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.13 -37.94 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.92 -58.92 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.855 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.2 m -55.07 -42.85 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 50.0 mm-40 -66.39 -21.12 66.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -49.72 52.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.582 ' HB3' HD11 ' A' ' 53' ' ' LEU . 3.5 mt -58.95 -51.32 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.786 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -43.89 -40.24 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -64.89 -44.4 89.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -59.62 -46.82 87.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.5 tp -45.63 -63.84 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.654 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 4.0 mm-40 -39.07 -61.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' ASN . 18.0 mt-30 -58.99 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -39.93 -43.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -39.93 -76.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.54 -35.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -105.23 161.44 14.77 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.04 32.12 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.3 t -87.58 147.57 25.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.12 158.78 43.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.92 134.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.18 95.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.947 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.24 -165.15 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.98 -57.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.58 151.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.61 142.06 15.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.89 149.19 30.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.85 98.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -168.28 109.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.18 -179.18 28.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 60.94 99.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -117.48 95.62 5.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.448 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 10.2 t-80 -47.42 141.29 6.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -74.99 -19.17 18.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.46 ' HB2' HD13 ' A' ' 71' ' ' ILE . 29.9 m -88.16 -22.82 23.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.409 ' CD1' HG12 ' A' ' 71' ' ' ILE . 21.1 mm -86.65 -47.56 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.5 t -55.71 -22.14 22.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.676 ' HG3' HD12 ' A' ' 23' ' ' ILE . 2.1 tpp180 -80.32 -48.19 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.77 -42.64 93.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -56.48 -33.6 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -35.19 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.676 HD12 ' HG3' ' A' ' 19' ' ' ARG . 3.0 mt -71.99 -37.75 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' GLU . 8.6 mt-30 -64.84 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 7.5 ptp180 -43.44 -27.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.6 mm-40 -73.21 -70.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 23' ' ' ILE . 4.2 m -51.64 -28.37 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -43.2 34.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . -65.18 -16.82 63.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.509 HG12 HG21 ' A' ' 52' ' ' ILE . 2.4 pp -111.17 11.61 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.824 ' HG3' HD21 ' A' ' 85' ' ' LEU . 26.7 tt0 -72.85 -42.69 7.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.1 Cg_endo -75.0 1.18 8.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.779 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.632 ' C ' HD21 ' A' ' 49' ' ' LEU . 18.6 mt-30 -96.68 -6.78 35.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.712 ' HB ' HD13 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -119.35 -35.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.99 -44.93 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.68 21.17 46.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.123 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 38' ' ' SER . 92.8 t80 -76.62 167.09 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.428 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -167.87 101.66 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.09 173.9 37.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.055 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 mt -73.26 170.62 14.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.425 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 11.3 p -89.05 60.79 5.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 167.7 43.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -108.45 172.41 6.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -75.27 59.28 1.01 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -179.13 -50.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' A' ' 41' ' ' SER . 46.7 t80 -53.93 -47.16 71.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 51' ' ' ARG . 7.5 mmmm -54.59 -37.71 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -59.19 -58.83 6.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.632 HD21 ' C ' ' A' ' 33' ' ' GLN . 5.3 mp -52.71 -60.93 2.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.07 -36.15 28.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 4.0 mmt85 -69.47 -29.75 67.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 49' ' ' LEU . 18.3 mt -70.71 -69.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 82' ' ' THR . 2.9 mm? -38.76 -65.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.26 -45.04 8.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -62.92 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 8.5 mm100 -49.5 -43.23 45.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.761 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.4 tm? -51.48 -54.18 29.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.47 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.3 t80 -51.0 -26.16 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.511 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -81.67 -31.89 32.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.404 HG23 ' HG2' ' A' ' 75' ' ' ARG . 25.2 mt -62.74 -48.25 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -61.73 -31.33 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -53.1 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.0 t -40.28 123.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -89.63 135.62 33.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.673 HG22 HG22 ' A' ' 71' ' ' ILE . 41.3 p -121.22 84.69 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.81 62.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' THR . . . 36.86 67.98 0.38 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -116.77 -39.62 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.82 -63.21 0.67 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -41.17 -37.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.673 HG22 HG22 ' A' ' 65' ' ' THR . 46.8 mt -92.02 -51.78 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -42.99 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -56.36 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.365 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -55.32 -58.56 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -45.83 -68.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 5.5 pttt -48.08 -39.21 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.405 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 8.8 mmm180 -67.15 -30.51 70.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -84.19 -35.24 23.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.53 -20.83 63.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 84' ' ' ARG . 91.7 mt-30 -92.04 -49.21 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.09 -62.61 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.761 HG21 ' HB2' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -45.45 -59.68 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -60.82 -21.57 63.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -70.76 -40.03 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.824 HD21 ' HG3' ' A' ' 31' ' ' GLU . 13.1 mt -77.56 -47.83 18.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 1.2 mt -39.44 -49.24 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -67.95 -43.1 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.6 mm-40 -51.67 -47.11 63.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.712 HD13 ' HB ' ' A' ' 34' ' ' VAL . 12.4 tp -52.56 -61.61 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -53.46 -32.4 49.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -74.99 -28.47 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -108.48 21.12 17.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.39 -83.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 t -175.77 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.95 172.63 31.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 169.86 21.69 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.8 m -154.05 84.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.97 112.51 6.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m 61.81 168.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.02 160.16 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.49 -171.44 14.4 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.496 1.123 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.9 162.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 p -145.38 153.61 41.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.36 -128.54 0.96 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.68 130.23 52.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.08 139.72 14.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.83 90.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.52 117.28 0.39 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -100.57 115.71 30.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' HIS . 12.2 tt0 -72.01 93.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.764 ' CE1' HD11 ' A' ' 71' ' ' ILE . 9.7 t-80 -40.13 143.59 0.61 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.588 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.0 -23.53 13.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.721 ' O ' HD13 ' A' ' 20' ' ' LEU . 51.2 m -81.68 -39.44 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mm -68.83 -48.38 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.5 t -51.26 -24.81 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.583 ' HG3' HD12 ' A' ' 23' ' ' ILE . 3.6 tpp180 -82.55 -44.27 16.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.813 ' CD1' HG21 ' A' ' 63' ' ' VAL . 11.1 mp -59.84 -42.47 93.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -60.08 -23.21 63.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.11 -14.56 30.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.583 HD12 ' HG3' ' A' ' 19' ' ' ARG . 6.0 mt -94.46 -41.95 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.497 ' O ' HG22 ' A' ' 27' ' ' VAL . 22.8 mt-30 -60.87 -44.64 96.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -61.44 -30.75 70.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.259 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.02 -55.72 13.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.777 HG11 ' OG1' ' A' ' 82' ' ' THR . 17.1 m -61.66 -27.07 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -40.76 28.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.76 -12.53 61.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.581 ' O ' HG13 ' A' ' 34' ' ' VAL . 2.4 pp -114.56 -6.86 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.5 tt0 -51.01 -46.27 88.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.01 -18.23 18.86 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.788 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -74.89 -16.8 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 30' ' ' ILE . 2.0 m -109.54 -34.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 31' ' ' GLU . 55.9 t -62.53 -51.1 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.32 34.86 5.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 49' ' ' LEU . 24.2 t80 -81.96 159.39 23.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.79 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.404 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -152.64 102.58 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.35 132.82 1.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.672 HD22 ' HB2' ' A' ' 94' ' ' SER . 2.4 mm? -59.95 145.68 45.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 5.8 p -45.87 107.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 41' ' ' SER . 14.3 t0 77.02 81.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.8 26.65 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.87 46.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 179.76 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 17.6 t80 -65.0 -11.22 36.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -48.89 41.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -51.08 69.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.625 ' HA ' HD12 ' A' ' 52' ' ' ILE . 53.1 mt -49.59 -51.21 38.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.623 ' HG3' HD21 ' A' ' 86' ' ' LEU . 13.4 tt0 -67.32 -55.52 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 mmt180 -40.63 -38.88 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 49' ' ' LEU . 19.1 mt -56.83 -69.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 82' ' ' THR . 3.8 mm? -41.68 -64.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -49.74 -52.36 32.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.442 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -53.77 -44.7 70.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.7 mm100 -68.11 -49.25 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.829 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.7 tm? -51.4 -56.83 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.47 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -47.5 -28.75 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HB3' HD11 ' A' ' 23' ' ' ILE . 4.6 mm-40 -78.9 -30.93 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.481 HG12 HG21 ' A' ' 23' ' ' ILE . 37.5 mt -65.7 -51.94 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.65 -24.25 66.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.33 -30.29 68.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.813 HG21 ' CD1' ' A' ' 20' ' ' LEU . 2.2 t -64.13 107.19 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.37 118.95 8.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.599 HG22 HG22 ' A' ' 71' ' ' ILE . 69.7 p -87.38 -35.53 18.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 54.32 25.5 5.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.86 38.47 41.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.594 ' HB2' HD12 ' A' ' 71' ' ' ILE . 17.2 mttt -103.49 103.77 13.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 71' ' ' ILE . . . -45.79 -50.2 11.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -45.42 -26.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.764 HD11 ' CE1' ' A' ' 14' ' ' HIS . 44.1 mt -101.95 -55.09 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.58 -27.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -54.29 5.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -65.4 -56.37 12.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -37.57 -71.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -49.74 -47.73 50.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.25 -53.44 35.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.21 82.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.58 -35.98 9.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 84' ' ' ARG . 79.1 mt-30 -71.04 -52.87 17.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER -44.25 -63.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.829 HG21 ' HB2' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -47.53 -61.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.433 ' N ' HG22 ' A' ' 82' ' ' THR . 15.1 mm-40 -56.69 -18.59 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 1.6 ttt85 -71.65 -41.3 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 31' ' ' GLU . 5.2 mt -76.51 -48.67 18.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.623 HD21 ' HG3' ' A' ' 50' ' ' GLU . 1.2 mt -37.93 -42.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -58.76 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -47.94 -48.5 32.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 33.0 tp -45.78 -57.02 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.789 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 2.7 mt-10 -47.78 -59.96 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.04 -62.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -41.33 -33.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -49.07 -73.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.672 ' HB2' HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER 178.13 -38.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.065 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 162.06 153.54 7.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -55.64 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.3 m 65.94 99.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.046 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.6 t -106.22 124.76 50.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.16 163.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.42 166.2 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.11 176.86 47.22 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.72 -60.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 110.006 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.02 117.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.78 132.44 3.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.59 -59.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -153.13 166.22 33.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.42 147.69 46.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.58 114.8 4.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 55.31 98.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -93.19 88.06 5.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.538 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 8.1 t-80 -45.49 144.09 2.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.0 -24.25 13.0 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.467 ' HB3' ' ND1' ' A' ' 14' ' ' HIS . 28.8 t -82.0 -7.11 59.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.79 HD11 HG12 ' A' ' 71' ' ' ILE . 6.1 mm -106.46 -35.76 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 t -69.54 -30.97 68.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.455 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -60.53 -56.83 16.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.637 HD11 HG11 ' A' ' 63' ' ' VAL . 4.2 mp -52.38 -43.54 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -50.09 -25.86 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.35 -25.13 19.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.455 HD12 ' HG3' ' A' ' 19' ' ' ARG . 3.1 mt -83.4 -31.0 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -67.14 -50.58 60.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -24.76 39.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.52 -61.59 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.493 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 18.7 m -57.59 -26.17 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 1.7 mmtp -79.16 -41.4 28.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -8.71 41.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.892 HD11 HD21 ' A' ' 53' ' ' LEU . 2.5 pp -119.83 6.47 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.681 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.9 tt0 -68.26 -41.77 26.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -74.96 -1.57 11.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -89.28 -58.96 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.777 HG23 ' HA ' ' A' ' 89' ' ' LEU . 0.8 OUTLIER -62.56 -38.53 81.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 31' ' ' GLU . 89.4 t -62.11 -48.26 89.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.64 33.33 6.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.117 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 11.2 t80 -84.06 152.84 24.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.432 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -147.4 101.74 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.43 -140.29 3.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' C ' ' HB1' ' A' ' 93' ' ' ALA . 18.2 mt -124.75 -178.78 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 p -89.47 115.07 26.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 4.3 m-20 60.34 83.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 3.1 m-20 155.75 170.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 38' ' ' SER . 2.6 tttt 64.06 -103.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 46' ' ' TYR . 4.2 t-20 -113.87 -30.7 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.431 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 5.4 t80 -36.47 -46.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -42.23 -49.9 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -62.08 -57.64 10.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.838 ' HA ' HD12 ' A' ' 52' ' ' ILE . 77.9 mt -43.3 -56.14 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.514 ' HG3' HD21 ' A' ' 86' ' ' LEU . 18.4 tt0 -58.03 -52.63 64.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.99 -46.28 11.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 49' ' ' LEU . 5.8 mt -56.55 -64.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.892 HD21 HD11 ' A' ' 30' ' ' ILE . 83.4 mt -51.6 -56.8 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -48.98 -42.98 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -49.89 66.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.421 ' HB3' HG23 ' A' ' 23' ' ' ILE . 39.4 mm-40 -59.42 -46.12 89.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.5 tm? -57.4 -58.62 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' N ' HD13 ' A' ' 57' ' ' LEU . 7.2 t80 -46.9 -28.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.74 -32.55 57.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.478 HG23 ' HG3' ' A' ' 75' ' ' ARG . 78.1 mt -60.36 -45.13 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -70.29 -33.93 72.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -58.99 -61.2 2.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.94 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.637 HG11 HD11 ' A' ' 20' ' ' LEU . 41.8 t -43.74 108.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -59.85 159.85 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.452 ' CG2' ' HD2' ' A' ' 75' ' ' ARG . 27.6 p -115.86 -33.86 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 68.64 20.92 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.46 56.81 15.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' ILE . 2.5 mttm -132.87 102.14 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -39.02 -61.74 1.34 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' GLY . 7.2 m-20 -37.42 -35.4 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.79 HG12 HD11 ' A' ' 17' ' ' ILE . 7.7 mt -92.49 -59.71 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.52 -44.14 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -53.1 -57.3 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -40.26 -65.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.611 HH21 HG11 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -37.48 -70.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 75' ' ' ARG . 2.8 tttt -39.67 -58.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -53.28 -44.34 68.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.5 -49.27 77.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.24 -56.5 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -51.76 -25.54 7.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.22 -52.61 7.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.457 ' OG1' HG11 ' A' ' 27' ' ' VAL . 4.5 m -65.43 -42.35 92.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -68.88 -17.58 64.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -73.88 -48.64 29.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.766 HD22 ' CG1' ' A' ' 34' ' ' VAL . 5.0 mt -67.11 -51.38 54.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.514 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -40.1 -38.52 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -63.79 -53.62 48.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' LEU . 1.4 mm-40 -57.53 -27.35 62.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.777 ' HA ' HG23 ' A' ' 34' ' ' VAL . 6.2 tp -56.19 -51.57 67.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.725 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 3.0 mt-10 -58.14 -55.8 30.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -55.6 -66.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' GLN . 18.8 m-80 -40.28 -43.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -41.31 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -175.2 -51.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.53 164.2 5.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -179.29 4.86 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.522 1.801 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.2 t -84.97 -59.05 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.92 -58.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.3 OUTLIER 67.34 -78.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.965 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 2' ' ' SER . 2.1 t 80.2 166.67 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.15 72.48 0.37 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.575 1.172 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -76.98 132.88 39.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.0 121.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.35 162.33 12.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.112 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 mtm -139.59 153.25 47.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 0.74 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.08 121.97 38.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -97.57 166.13 11.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.55 -129.94 20.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.574 1.171 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -81.63 134.81 35.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -88.45 92.03 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.753 ' CE1' HD11 ' A' ' 71' ' ' ILE . 8.9 t-80 -39.37 143.87 0.5 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.57 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.01 -20.3 16.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.671 ' OG ' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -84.62 -42.07 15.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.9 mm -65.14 -42.86 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.9 t -62.42 -20.16 64.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.967 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.475 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -83.62 -43.43 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.842 HD11 HG11 ' A' ' 63' ' ' VAL . 10.3 mp -62.08 -42.59 99.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -55.44 -25.55 36.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.25 -16.39 24.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 19' ' ' ARG . 86.1 mt -92.24 -43.79 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -62.42 -67.13 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 15.8 ptt180 -39.46 -33.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 29' ' ' ALA . 4.0 mm-40 -67.74 -74.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.493 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 4.1 m -47.34 -32.85 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -75.89 -38.88 57.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . -69.49 -6.64 31.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.78 HG12 HG21 ' A' ' 52' ' ' ILE . 2.6 pp -121.5 -2.14 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.553 ' HB2' HD11 ' A' ' 85' ' ' LEU . 3.5 tt0 -55.77 -48.72 95.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.06 -9.1 20.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.449 1.763 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -80.37 -21.84 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 30' ' ' ILE . 1.3 m -100.08 -43.01 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.413 ' HA ' ' ND2' ' A' ' 92' ' ' ASN . 87.7 t -64.25 -35.15 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.83 11.87 67.7 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.84 164.38 17.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.63 87.75 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.37 -135.16 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' A' ' 94' ' ' SER . 5.6 mt -136.05 -176.3 4.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p -93.85 131.3 39.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.046 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.09 67.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.08 -172.11 3.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -84.86 64.02 8.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 173.18 -50.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.57 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 60.0 t80 -58.41 -32.49 68.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -58.45 -60.81 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -41.34 -69.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.637 ' HA ' HD12 ' A' ' 52' ' ' ILE . 12.9 mt -41.01 -60.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -50.19 -48.16 54.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' O ' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -48.64 -53.61 17.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.277 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.78 HG21 HG12 ' A' ' 30' ' ' ILE . 4.0 mt -43.2 -67.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 82' ' ' THR . 2.7 mm? -47.98 -62.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.51 HG22 ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -44.17 -54.76 5.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.408 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.51 ' N ' HG22 ' A' ' 54' ' ' THR . 2.0 mptt -54.94 -66.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.0 mm-40 -46.3 -48.28 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.852 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -48.5 -50.07 33.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.428 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.3 t80 -54.99 -25.18 28.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -83.25 -31.44 26.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.5 mt -63.09 -44.62 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -67.53 -26.14 66.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.25 -37.73 71.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.842 HG11 HD11 ' A' ' 20' ' ' LEU . 57.2 t -50.05 125.63 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -89.56 111.46 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.6 p -81.16 -48.47 12.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.15 32.65 15.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.25 63.07 3.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -112.57 -11.82 13.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 73.88 -62.92 2.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' GLY . 69.8 m-20 -39.97 -52.46 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.753 HD11 ' CE1' ' A' ' 14' ' ' HIS . 56.2 mt -77.34 -54.19 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -41.69 -53.51 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -51.82 -42.21 62.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.91 -60.44 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -53.69 15.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -60.96 -27.05 67.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -35.35 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.49 -35.73 46.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.44 -15.82 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 84' ' ' ARG . 49.6 mt-30 -94.49 -51.29 4.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.89 -60.48 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.852 HG21 ' HB2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -44.93 -61.37 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -58.21 -30.11 66.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 80' ' ' GLN . 4.7 ttt-85 -61.55 -43.91 98.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 31' ' ' GLU . 5.8 mt -74.79 -50.36 17.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.449 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 1.3 mt -39.48 -30.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' A' ' 85' ' ' LEU . 2.5 mmtt -80.51 -52.2 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 3.7 mm-40 -52.65 -41.97 64.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.57 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 13.8 tp -48.73 -33.58 10.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -79.27 -64.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.44 -31.76 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 35' ' ' VAL . 21.4 m-80 -81.9 -40.57 22.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . -41.07 -79.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.556 ' HB3' HD23 ' A' ' 40' ' ' LEU . 4.6 t -174.84 -39.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.54 158.06 49.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 140.84 25.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.9 m -74.31 -69.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 t -69.11 160.02 31.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 p -115.04 162.42 17.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 110.027 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -101.93 170.18 8.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.5 -147.32 8.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.01 160.26 24.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -144.57 156.65 44.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.07 -167.23 32.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -176.32 98.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 0.765 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.18 151.26 3.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -166.58 166.44 16.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.97 -123.58 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -58.5 106.98 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -78.2 98.46 5.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.8 t-80 -44.36 143.34 2.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.635 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.0 -14.68 21.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.438 1.757 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.432 ' HB2' HD13 ' A' ' 71' ' ' ILE . 56.5 m -89.17 -32.27 17.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.949 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.2 mm -72.16 -52.99 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.6 t -51.24 -41.05 60.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -63.41 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.5 mt -51.98 -32.51 33.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -73.71 -24.35 59.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -89.48 -19.92 24.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' A' ' 56' ' ' GLN . 3.6 mt -89.88 -35.07 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -64.4 -44.95 89.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -61.96 -25.7 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.323 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 30' ' ' ILE . 3.2 mm-40 -76.89 -68.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.724 HG11 ' OG1' ' A' ' 82' ' ' THR . 13.1 m -47.62 -36.32 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.79 -40.62 69.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.9 -16.53 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -112.68 2.43 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.922 ' O ' HG23 ' A' ' 35' ' ' VAL . 9.8 tt0 -63.16 -46.39 86.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -75.0 -8.22 19.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -76.17 -33.27 59.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.632 HG22 ' CD1' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -93.39 -34.22 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 31' ' ' GLU . 46.7 t -65.02 -35.94 76.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.31 25.74 25.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -85.67 130.21 34.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.25 93.63 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.68 -148.75 5.28 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.706 HD23 ' OG ' ' A' ' 94' ' ' SER . 5.3 mt -126.28 133.52 51.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.8 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.488 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 0.5 OUTLIER -44.04 110.94 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 110.009 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.03 94.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.23 -161.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -85.82 70.0 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 165.55 -48.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.577 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 2.7 t80 -58.55 -51.42 69.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -41.39 -59.22 1.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' LYS . 5.0 ttt180 -38.76 -52.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.533 HD13 HG12 ' A' ' 34' ' ' VAL . 8.5 mt -59.96 -64.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -42.92 -45.74 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.17 -52.79 64.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 49' ' ' LEU . 17.6 mt -51.43 -36.45 17.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.482 HD11 ' HB3' ' A' ' 85' ' ' LEU . 16.9 mt -77.19 -49.74 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -37.81 73.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -55.19 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.481 ' HB3' HG23 ' A' ' 23' ' ' ILE . 98.6 mm-40 -65.78 -22.49 66.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.53 ' HA ' HG13 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -75.65 -63.39 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.96 -22.25 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 57' ' ' LEU . 5.2 mm-40 -77.62 -31.92 53.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.53 HG13 ' HA ' ' A' ' 57' ' ' LEU . 2.5 mt -61.14 -51.2 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.94 -25.91 67.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.09 -42.67 69.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.1 t -54.48 114.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.76 152.07 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.4 p -113.51 -25.44 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.433 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 43.45 32.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.83 57.32 9.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' GLY . 25.7 mttm -129.07 90.38 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' LYS . . . -36.42 -56.3 1.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -40.0 -49.18 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.432 HD13 ' HB2' ' A' ' 16' ' ' SER . 96.6 mt -78.98 -57.66 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.92 -54.35 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -52.42 -62.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -48.65 -53.75 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -69.38 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -52.49 -27.02 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' GLN . 7.1 mtt-85 -75.14 -30.11 60.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -82.26 -35.65 27.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -61.66 -28.4 69.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -78.85 -44.17 23.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.45 -47.52 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.724 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -59.12 -36.27 74.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 11.1 mm-40 -73.27 -44.94 58.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -59.75 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.632 ' CD1' HG22 ' A' ' 34' ' ' VAL . 3.3 mm? -50.23 -46.05 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.29 -31.55 33.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -81.9 -52.36 7.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -45.06 -38.7 5.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.577 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 27.8 tp -60.81 -63.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.21 -29.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 89' ' ' LEU . 22.1 tp60 -89.93 -57.93 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -49.79 -26.62 4.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.418 ' HB2' ' HE2' ' A' ' 46' ' ' TYR . . . -52.3 -78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.706 ' OG ' HD23 ' A' ' 40' ' ' LEU . 8.9 p -171.08 -41.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' SER . . . 36.94 -145.98 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.571 1.169 . . . . 0.0 111.047 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.33 14.7 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.3 m -157.81 134.67 9.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.7 p -126.43 111.5 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.043 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.453 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 12.8 t-80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.453 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.03 -5.63 17.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.59 ' HB2' HD13 ' A' ' 71' ' ' ILE . 50.1 m -99.06 -34.2 10.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.9 mm -68.57 -55.04 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -53.06 -43.26 66.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -56.35 -62.41 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' GLN . 32.5 mt -50.53 -36.57 34.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -71.41 -24.5 62.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.5 mt-10 -92.66 -15.59 26.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' A' ' 56' ' ' GLN . 2.7 mt -101.34 -30.26 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.469 ' O ' HG22 ' A' ' 27' ' ' VAL . 2.8 mt-30 -68.75 -52.78 26.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -54.89 -21.52 11.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -76.5 -57.71 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.496 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 17.6 m -60.37 -31.19 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -41.45 34.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -70.25 -13.07 62.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.6 pp -115.19 -5.84 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 12.8 tt0 -52.35 -45.52 94.84 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.0 -31.95 5.78 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -57.46 -24.21 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.454 ' HB ' HD12 ' A' ' 85' ' ' LEU . 86.6 t -94.26 -49.85 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 31' ' ' GLU . 74.1 t -59.4 -33.74 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.19 19.01 55.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.448 ' CG ' ' N ' ' A' ' 38' ' ' SER . 41.8 t80 -73.51 168.83 18.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 0.772 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.448 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -165.28 83.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' ALA . . . -168.26 143.17 7.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 94' ' ' SER . 1.1 mm? -58.22 164.33 2.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 46' ' ' TYR . 7.0 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.475 0.179 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -64.42 -59.18 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -43.11 -62.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.762 ' HA ' HD12 ' A' ' 52' ' ' ILE . 14.3 mt -43.69 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.486 ' HG3' HD21 ' A' ' 86' ' ' LEU . 2.5 tt0 -48.89 -53.4 19.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.433 ' O ' HG22 ' A' ' 54' ' ' THR . 0.9 OUTLIER -45.16 -48.98 12.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 49' ' ' LEU . 19.1 mt -51.35 -64.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 30' ' ' ILE . 41.4 mt -51.42 -52.08 49.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -53.59 -38.72 64.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.432 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -52.52 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.481 ' HB3' HG23 ' A' ' 23' ' ' ILE . 25.7 mm100 -55.79 -47.31 77.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.252 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.3 tm? -55.08 -57.56 11.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.479 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -47.34 -28.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -78.52 -32.21 47.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 57' ' ' LEU . 47.6 mt -62.24 -49.08 85.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.52 -25.13 67.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.91 -24.77 55.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 t -71.04 115.01 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -78.5 151.5 32.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.1 p -110.23 -50.93 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.22 20.7 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.59 53.88 4.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 71' ' ' ILE . 32.4 mttm -126.64 92.23 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -37.14 -58.21 1.28 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' GLY . 6.3 m-20 -39.02 -44.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.59 HD13 ' HB2' ' A' ' 16' ' ' SER . 96.0 mt -84.77 -57.87 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.23 -49.39 2.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -61.29 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -49.12 -61.43 2.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -42.54 -69.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -50.89 -35.75 34.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -69.59 -23.83 63.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -93.3 -28.1 16.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.3 83.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -83.58 -39.83 19.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -54.6 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.591 HG21 ' HB2' ' A' ' 57' ' ' LEU . 94.6 m -51.08 -61.05 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.368 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -49.65 -44.92 47.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -62.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.496 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 3.1 mm? -51.51 -52.13 49.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.486 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.8 OUTLIER -42.28 -50.89 4.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -56.22 -51.97 66.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' LEU . 3.8 mm-40 -46.19 -55.0 7.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' GLU . 31.6 tp -39.5 -64.65 0.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' LEU . 1.5 mt-10 -38.41 -41.97 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.259 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.96 -60.77 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -44.56 -35.0 2.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 39' ' ' GLY . . . -44.01 -75.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.491 ' HB2' HD22 ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.997 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.629 ' CE1' HD11 ' A' ' 71' ' ' ILE . 9.5 t-80 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -75.02 -15.37 20.73 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.62 ' HB3' HG13 ' A' ' 63' ' ' VAL . 4.4 m -87.86 -41.53 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -66.49 -49.18 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.3 t -54.49 -21.82 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.698 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -84.87 -59.01 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.0 HD11 HG11 ' A' ' 63' ' ' VAL . 11.0 mp -49.08 -49.51 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -46.32 -33.54 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -32.19 28.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.698 HD12 ' HG3' ' A' ' 19' ' ' ARG . 12.0 mt -74.0 -40.55 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -59.75 -60.78 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -48.03 -30.83 4.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ALA . 4.7 mm-40 -71.76 -72.6 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.505 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 9.7 m -45.78 -29.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -79.64 -41.25 27.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' GLU . . . -69.34 -13.81 62.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.573 HG22 ' NE2' ' A' ' 33' ' ' GLN . 1.9 pp -113.3 -3.16 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.629 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 21.1 tt0 -55.88 -44.19 99.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.01 -27.85 9.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.573 ' NE2' HG22 ' A' ' 30' ' ' ILE . 22.7 mt-30 -62.41 -21.21 65.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.618 HG22 HD13 ' A' ' 89' ' ' LEU . 54.0 t -97.26 -47.59 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 31' ' ' GLU . 81.6 t -61.82 -38.1 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.34 26.62 23.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 38' ' ' SER . 37.6 t80 -77.47 173.78 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 52.9 p -174.76 79.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.45 -135.28 2.45 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.518 ' C ' ' HB1' ' A' ' 93' ' ' ALA . 8.6 mt -123.28 157.29 33.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 0.774 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.601 ' O ' ' CE2' ' A' ' 46' ' ' TYR . 5.0 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 41' ' ' SER . 7.8 t80 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.477 0.179 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' TYR . 40.5 mmtt -39.07 -63.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.39 -57.63 5.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.9 ' HA ' HD12 ' A' ' 52' ' ' ILE . 10.7 mt -50.76 -64.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -45.45 -52.43 10.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' NH1' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -50.34 -49.59 53.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.9 HD12 ' HA ' ' A' ' 49' ' ' LEU . 12.5 mt -49.12 -57.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.7 mt -59.78 -52.65 64.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -49.87 -51.44 40.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.42 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.95 -62.26 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 11.0 mm100 -48.19 -47.35 35.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 58' ' ' PHE . 1.3 tm? -54.71 -56.67 16.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.48 ' N ' HD13 ' A' ' 57' ' ' LEU . 4.3 t80 -47.8 -27.6 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 63' ' ' VAL . 2.1 mm-40 -79.1 -31.38 44.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' LEU . 65.3 mt -62.69 -42.59 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.7 -24.84 59.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -28.23 58.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 1.0 HG11 HD11 ' A' ' 20' ' ' LEU . 37.3 t -72.7 116.42 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.27 137.87 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.726 HG21 ' HA ' ' A' ' 72' ' ' GLN . 28.1 p -93.49 -45.62 7.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.98 41.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.9 60.12 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -110.23 -27.37 9.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.99 -61.87 2.23 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -41.12 -57.91 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.678 HG22 HG22 ' A' ' 65' ' ' THR . 12.2 mt -72.2 -54.41 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.726 ' HA ' HG21 ' A' ' 65' ' ' THR . 0.0 OUTLIER -39.88 -44.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -66.96 -57.0 7.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -55.38 -68.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.435 ' HG2' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -38.33 -64.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.24 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -40.26 -59.33 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -54.47 -48.99 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.43 -51.8 61.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.03 -39.47 55.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -74.99 -44.51 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -51.99 67.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 57' ' ' LEU . 99.5 m -54.01 -55.66 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.403 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.75 -55.11 33.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.95 -53.79 1.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 2.8 mm? -57.89 -53.66 55.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.57 -47.02 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -54.61 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -40.8 -45.11 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.618 HD13 HG22 ' A' ' 34' ' ' VAL . 7.6 tp -47.85 -56.07 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 19.6 mt-10 -42.11 -58.76 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -65.55 -60.87 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -40.38 -42.39 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.541 ' HB1' ' N ' ' A' ' 41' ' ' SER . . . -39.85 -78.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.541 ' CE1' HD11 ' A' ' 71' ' ' ILE . 8.3 t-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -26.97 10.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.3 m -78.07 -43.04 30.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.401 ' CD1' HG12 ' A' ' 71' ' ' ILE . 17.2 mm -65.14 -51.54 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.2 t -58.81 -20.14 47.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -82.7 -52.86 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.478 HD11 ' CA ' ' A' ' 75' ' ' ARG . 5.9 mt -58.23 -40.29 81.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -56.31 -33.99 66.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -78.16 -38.38 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.263 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.509 ' O ' HG13 ' A' ' 27' ' ' VAL . 3.7 mt -68.08 -41.28 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -48.15 -25.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 5.0 mm-40 -73.75 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 23' ' ' ILE . 9.7 m -59.19 -38.8 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -34.48 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.77 -2.34 23.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.69 HD11 HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -111.02 -14.22 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.609 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 19.6 tt0 -53.85 -44.68 98.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.97 -27.85 9.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.81 ' HB3' HD21 ' A' ' 49' ' ' LEU . 14.4 mt-30 -67.57 -20.36 65.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.698 HG23 HD23 ' A' ' 49' ' ' LEU . 42.8 t -93.91 -44.08 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 31' ' ' GLU . 88.8 t -65.4 -40.51 88.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.52 23.36 36.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CD2' HD12 ' A' ' 89' ' ' LEU . 11.3 t80 -74.11 152.9 39.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.13 85.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 93' ' ' ALA . . . 176.32 150.93 8.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mt -52.36 175.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.454 ' HA ' ' CE2' ' A' ' 46' ' ' TYR . 1.6 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.964 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.454 ' CE2' ' HA ' ' A' ' 41' ' ' SER . 13.4 t80 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.524 0.202 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -46.21 -62.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -38.88 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.81 HD21 ' HB3' ' A' ' 33' ' ' GLN . 7.8 mp -39.31 -64.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -45.34 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.432 ' O ' HG22 ' A' ' 54' ' ' THR . 23.4 mmt180 -44.4 -47.13 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.0 mt -55.25 -47.56 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.84 HD13 ' HG ' ' A' ' 86' ' ' LEU . 16.2 mt -65.88 -44.48 85.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -63.28 -34.45 77.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 51' ' ' ARG . 3.7 mptt -74.72 -54.74 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -59.92 -44.31 94.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.717 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.3 tm? -54.23 -56.77 15.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.522 ' N ' HD13 ' A' ' 57' ' ' LEU . 10.1 t80 -47.94 -27.55 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.14 -30.88 43.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' LEU . 58.2 mt -63.11 -43.99 99.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.22 -23.44 62.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -77.31 -31.53 54.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.4 t -64.01 111.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -74.88 150.36 39.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.3 p -115.55 -38.02 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.0 42.1 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.9 65.98 0.84 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -113.16 -36.45 5.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.47 -61.78 0.74 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -40.38 -49.83 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.756 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.541 HD11 ' CE1' ' A' ' 14' ' ' HIS . 37.8 mt -81.07 -54.06 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -40.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -50.42 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' ARG . . . -65.31 -64.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.478 ' CA ' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -37.94 -64.72 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -53.35 -40.6 65.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -66.23 -18.44 65.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.43 ' O ' HD13 ' A' ' 60' ' ' ILE . . . -98.47 -17.96 18.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.35 -32.25 60.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -87.59 -33.14 18.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.61 -52.13 66.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.717 HG21 ' HB2' ' A' ' 57' ' ' LEU . 1.1 m -59.84 -50.63 73.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.17 -47.32 86.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -47.15 -49.51 22.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.455 HD11 ' HG3' ' A' ' 31' ' ' GLU . 4.0 mm? -65.7 -43.52 88.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.84 ' HG ' HD13 ' A' ' 53' ' ' LEU . 4.2 mt -51.01 -43.99 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -58.17 -59.54 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -47.47 -49.83 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.597 HD12 ' CD2' ' A' ' 37' ' ' PHE . 48.6 tp -40.51 -71.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.573 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 39.7 mt-10 -39.78 -40.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.74 -64.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -50.95 -24.7 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -41.09 -72.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 16.4 t-80 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.03 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.64 ' HB2' HD13 ' A' ' 71' ' ' ILE . 21.1 m -102.43 -29.88 11.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.046 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' CD1' HG12 ' A' ' 71' ' ' ILE . 20.1 mm -74.66 -46.2 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.5 t -62.25 -40.6 96.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -59.29 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.3 mt -52.96 -37.12 60.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -64.84 -20.54 66.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.58 -10.08 22.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.451 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 5.3 mt -99.47 -35.52 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.407 ' O ' HG22 ' A' ' 27' ' ' VAL . 60.4 mt-30 -67.98 -49.79 59.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -56.84 -22.75 38.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 30' ' ' ILE . 3.5 mm-40 -74.49 -56.87 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.914 HG11 ' OG1' ' A' ' 82' ' ' THR . 19.1 m -62.81 -30.56 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -75.97 -41.11 52.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.92 -13.71 62.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.506 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.1 pp -116.15 -1.5 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.9 tt0 -57.48 -47.12 99.54 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.01 -13.4 21.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -28.38 63.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.51 HG22 ' CD2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -95.75 -41.48 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 31' ' ' GLU . 63.0 t -62.56 -34.14 63.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.14 22.43 39.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CG ' ' N ' ' A' ' 38' ' ' SER . 59.6 t80 -79.01 171.79 14.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.515 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -168.31 92.77 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.5 -135.16 1.77 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -139.6 149.15 43.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.573 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 6.0 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.456 0.17 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -51.82 -50.86 60.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.678 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -50.69 -60.0 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.615 ' HB2' HD21 ' A' ' 89' ' ' LEU . 75.6 mt -47.63 -63.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.455 ' OE1' ' CD2' ' A' ' 86' ' ' LEU . 3.0 tt0 -47.73 -43.85 27.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.07 -58.37 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.678 HD12 ' O ' ' A' ' 48' ' ' ARG . 2.7 mp -48.14 -41.9 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.83 -56.68 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.356 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -42.06 64.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -62.99 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 25.3 mm100 -46.32 -45.21 17.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.561 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -54.52 -56.81 15.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.502 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -47.91 -27.59 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.941 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -79.07 -31.1 44.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 57' ' ' LEU . 68.0 mt -62.18 -41.63 92.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -72.12 -25.26 61.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -16.12 61.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.066 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.9 t -78.78 116.86 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -78.76 160.78 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.1 p -122.14 -52.65 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.62 26.34 5.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.56 56.24 4.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' ILE . 26.8 mttm -130.28 91.64 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -40.22 -58.41 2.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' GLY . 80.0 m-20 -38.48 -35.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.64 HD13 ' HB2' ' A' ' 16' ' ' SER . 72.7 mt -94.12 -56.85 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.85 -43.16 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -62.26 -60.52 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -50.04 -58.11 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -63.55 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -57.16 -21.63 34.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -83.96 -24.92 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -90.15 -28.18 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.73 -14.44 62.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -99.1 -45.13 6.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -55.35 27.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.914 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.3 m -54.71 -54.4 42.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.97 -24.94 63.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -49.69 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 31' ' ' GLU . 3.0 mt -59.49 -47.11 86.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.455 ' CD2' ' OE1' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -45.75 -27.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -43.69 15.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 85' ' ' LEU . 6.1 mm-40 -60.65 -41.24 94.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 49' ' ' LEU . 8.4 tp -59.05 -51.53 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -35.62 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 110.332 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -59.67 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -52.54 -33.22 44.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -45.09 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.505 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.1 t-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.505 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.03 -16.44 20.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.463 ' HB3' HD13 ' A' ' 71' ' ' ILE . 5.3 t -90.78 -17.54 26.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.3 mm -92.46 -55.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 t -52.34 -22.14 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.437 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -79.26 -46.29 18.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -62.33 -44.13 97.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -51.63 -34.6 38.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -30.41 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.459 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 2.6 mt -79.26 -37.21 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -65.29 -57.39 8.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 10.0 ptp180 -49.63 -27.89 5.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -72.64 -70.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.503 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 6.3 m -50.54 -31.14 8.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -36.11 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . -72.43 -5.22 35.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.653 HD11 HD21 ' A' ' 53' ' ' LEU . 2.8 pp -123.9 5.51 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.726 ' HG3' HD21 ' A' ' 85' ' ' LEU . 26.2 tt0 -68.99 -42.87 24.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.0 -0.7 10.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.554 HE21 HG22 ' A' ' 30' ' ' ILE . 14.7 mt-30 -88.59 -53.48 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.775 HG23 ' HA ' ' A' ' 89' ' ' LEU . 1.2 p -62.7 -39.52 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 31' ' ' GLU . 85.3 t -58.14 -46.47 88.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.16 34.23 5.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.578 ' CD1' HD12 ' A' ' 49' ' ' LEU . 15.4 t80 -87.0 158.78 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.04 102.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.76 41.39 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 111.041 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt 50.42 -178.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.8 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.1 t80 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.526 0.203 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -47.84 -65.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -67.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.805 ' HA ' HD12 ' A' ' 52' ' ' ILE . 74.8 mt -43.61 -65.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.442 ' HG3' HD21 ' A' ' 86' ' ' LEU . 3.0 tt0 -45.1 -51.7 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -56.55 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.805 HD12 ' HA ' ' A' ' 49' ' ' LEU . 11.5 mt -41.21 -43.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.653 HD21 HD11 ' A' ' 30' ' ' ILE . 69.9 mt -71.09 -54.52 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.91 -40.5 57.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.09 . . . . 0.0 110.359 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -67.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 28.6 mm100 -44.84 -45.59 10.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.558 HD13 ' N ' ' A' ' 58' ' ' PHE . 1.1 tm? -53.87 -57.25 11.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.558 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -47.78 -27.65 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.49 -31.6 42.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.6 mt -63.24 -50.07 80.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -61.0 -25.21 66.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -47.11 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -45.48 115.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.6 164.15 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.5 p -129.55 -54.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.1 33.68 2.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.6 63.92 2.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -110.66 -29.53 7.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.746 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.2 -64.4 2.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.148 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -39.82 -42.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 0.739 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.463 HD13 ' HB3' ' A' ' 16' ' ' SER . 15.7 mt -89.67 -51.05 12.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.67 -30.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -54.24 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -59.41 -57.16 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HG2' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -48.59 -62.51 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -56.1 -26.28 49.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -79.7 -24.99 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -91.15 -27.68 18.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -18.51 63.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -96.97 -43.08 7.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -60.13 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.442 HG21 ' HB2' ' A' ' 57' ' ' LEU . 3.1 m -48.23 -58.7 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.369 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -56.62 -29.25 61.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -42.56 99.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.752 HD22 ' CG1' ' A' ' 34' ' ' VAL . 8.2 mt -75.09 -51.4 13.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.442 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -40.04 -32.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 85' ' ' LEU . 8.4 mmtm -69.13 -55.71 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.0 mm-40 -55.64 -28.77 57.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.775 ' HA ' HG23 ' A' ' 34' ' ' VAL . 5.1 tp -54.26 -58.63 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.739 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -48.88 -54.84 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -66.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 88' ' ' GLU . 19.0 m-80 -40.95 -37.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -40.25 -73.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.99 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.487 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.5 t-80 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.487 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.97 -5.07 16.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.529 ' HB2' HD13 ' A' ' 71' ' ' ILE . 41.3 m -96.12 -29.29 14.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.966 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.515 HD11 HG12 ' A' ' 71' ' ' ILE . 24.2 mm -76.25 -48.78 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.0 t -58.32 -19.04 31.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.404 ' HG3' HD12 ' A' ' 23' ' ' ILE . 5.7 tpp180 -81.78 -58.35 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.09 -33.66 53.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -63.45 -28.74 70.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.56 -12.77 38.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.566 HG23 ' OE1' ' A' ' 56' ' ' GLN . 67.9 mt -98.24 -40.57 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.69 -46.35 88.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -23.97 64.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -77.19 -64.33 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.621 HG11 ' OG1' ' A' ' 82' ' ' THR . 13.0 m -54.76 -28.42 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -39.99 38.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.39 -10.56 58.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.673 HD11 HD21 ' A' ' 53' ' ' LEU . 2.5 pp -117.92 7.87 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.7 ' HG3' HD21 ' A' ' 85' ' ' LEU . 28.2 tt0 -70.08 -42.88 18.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.02 0.62 8.7 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -88.59 -55.57 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.8 ' CG1' HD22 ' A' ' 85' ' ' LEU . 1.1 p -64.46 -39.16 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 31' ' ' GLU . 79.6 t -63.56 -39.78 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.51 28.61 12.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 9.0 t80 -84.32 146.49 27.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 111.055 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.404 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -143.54 113.04 6.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.08 -127.07 1.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.561 ' C ' ' HB1' ' A' ' 93' ' ' ALA . 6.8 mt -133.38 -174.55 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.429 ' O ' ' CE1' ' A' ' 46' ' ' TYR . 50.2 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CE1' ' O ' ' A' ' 41' ' ' SER . 44.0 t80 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.515 0.197 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -50.05 -53.04 29.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -68.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.566 ' HA ' HD12 ' A' ' 52' ' ' ILE . 17.1 mt -42.44 -54.82 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.679 ' HG3' HD21 ' A' ' 86' ' ' LEU . 24.4 tt0 -55.83 -51.71 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 16.6 mmt85 -52.02 -39.66 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.356 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 49' ' ' LEU . 46.0 mt -63.19 -53.58 44.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.673 HD21 HD11 ' A' ' 30' ' ' ILE . 75.5 mt -61.58 -51.91 66.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -46.67 85.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -63.07 -45.97 89.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.566 ' OE1' HG23 ' A' ' 23' ' ' ILE . 9.2 mm-40 -61.29 -51.53 68.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.1 tm? -51.76 -52.91 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.447 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -51.7 -26.47 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HG3' ' CE ' ' A' ' 55' ' ' LYS . 1.3 mm-40 -81.12 -31.64 34.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.4 mt -61.8 -44.34 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -65.09 -25.53 67.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -36.21 68.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.0 t -58.95 117.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.69 148.64 33.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.9 p -106.96 -48.88 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.449 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.08 27.4 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.38 56.9 10.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' ILE . 3.5 mttm -131.33 93.87 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.265 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -37.81 -57.92 1.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' GLY . 12.8 m-20 -36.79 -40.9 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.529 HD13 ' HB2' ' A' ' 16' ' ' SER . 83.0 mt -89.34 -59.94 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -40.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 4.6 mt-30 -65.09 -56.99 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.06 -52.23 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -69.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -51.06 -31.83 19.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -68.17 -35.61 78.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.11 -39.54 23.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -55.59 -27.64 50.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 84' ' ' ARG . 44.9 mt-30 -89.56 -46.75 8.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -62.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.244 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.621 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.4 m -51.26 -40.84 59.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 9.2 mm-40 -73.7 -21.9 60.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -71.47 -46.75 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.8 HD22 ' CG1' ' A' ' 34' ' ' VAL . 6.0 mt -66.71 -50.47 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.679 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -43.83 -38.42 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -60.08 -46.45 89.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 1.1 mm-40 -63.72 -41.13 98.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.252 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.65 ' HA ' HG23 ' A' ' 34' ' ' VAL . 6.9 tp -45.43 -36.88 4.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -68.77 -48.12 64.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.6 -62.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -42.06 -39.78 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.561 ' HB1' ' C ' ' A' ' 40' ' ' LEU . . . -40.38 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.555 ' CE1' HD11 ' A' ' 71' ' ' ILE . 18.0 t-80 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.05 -13.37 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.509 ' HB3' HG13 ' A' ' 63' ' ' VAL . 19.5 m -93.97 -23.79 17.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 mm -85.2 -40.01 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -59.5 -24.35 63.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 110.068 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.574 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -77.81 -49.64 13.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.545 ' HG ' HG21 ' A' ' 63' ' ' VAL . 7.0 mt -55.71 -40.46 72.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -58.1 -28.14 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.94 -21.62 27.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.574 HD12 ' HG3' ' A' ' 19' ' ' ARG . 8.9 mt -87.54 -37.46 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -64.15 -55.25 23.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 10.1 ptm180 -52.11 -23.64 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.76 -67.38 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.487 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 9.1 m -53.69 -30.11 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -77.57 -40.96 40.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . -68.36 -9.92 51.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.594 HD11 ' CD2' ' A' ' 53' ' ' LEU . 2.6 pp -118.97 3.97 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.756 ' HG3' HD21 ' A' ' 85' ' ' LEU . 21.3 tt0 -64.19 -43.28 73.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.0 0.79 8.48 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' HD13 ' A' ' 49' ' ' LEU . 12.3 mt-30 -94.52 -9.64 34.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.789 HG13 HD22 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -118.93 -38.89 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 31' ' ' GLU . 63.1 t -58.53 -54.09 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.73 38.96 2.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 38' ' ' SER . 66.1 t80 -86.96 162.31 17.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.417 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -152.68 123.75 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 156.82 -149.75 20.66 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -109.64 179.07 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.572 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 5.6 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 41' ' ' SER . 63.5 t80 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.494 0.187 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -64.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.405 ' O ' HD12 ' A' ' 52' ' ' ILE . 9.6 ttp180 -44.92 -53.95 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.594 HD12 HD11 ' A' ' 89' ' ' LEU . 19.9 mt -44.96 -53.0 8.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.652 ' HG3' HD21 ' A' ' 86' ' ' LEU . 5.2 tt0 -67.78 -52.09 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -43.93 -42.45 5.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 48' ' ' ARG . 8.4 mt -62.88 -58.71 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.594 ' CD2' HD11 ' A' ' 30' ' ' ILE . 98.3 mt -53.44 -58.15 8.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.72 -43.44 65.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 36.4 tptt -64.28 -64.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 30.2 mm100 -46.13 -43.51 15.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.515 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.1 tm? -52.16 -56.66 13.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.508 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -48.03 -28.25 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 3.7 mm-40 -78.94 -30.46 44.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.457 HG23 HD21 ' A' ' 20' ' ' LEU . 63.7 mt -62.99 -44.25 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -68.79 -30.73 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -39.16 83.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.545 HG21 ' HG ' ' A' ' 20' ' ' LEU . 8.3 t -54.65 111.26 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -66.03 127.87 33.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.582 HG22 HG22 ' A' ' 71' ' ' ILE . 58.3 p -97.3 -47.82 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.37 41.01 20.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.7 49.24 2.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -91.53 -46.19 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 71' ' ' ILE . . . 114.26 -62.25 0.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -43.29 -28.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.582 HG22 HG22 ' A' ' 65' ' ' THR . 26.0 mt -100.74 -51.09 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -24.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -53.13 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -67.1 -57.87 5.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -37.69 -71.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 77' ' ' ARG . 14.3 pttp -49.06 -50.69 35.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 76' ' ' LYS . 15.2 mmt180 -50.4 -43.52 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -72.37 -48.04 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.42 -41.68 52.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -70.57 -46.26 63.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -50.49 63.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.515 HG21 ' HB2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -62.64 -55.71 24.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.393 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -53.77 -28.89 37.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -62.42 -54.55 38.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.789 HD22 HG13 ' A' ' 34' ' ' VAL . 4.2 mt -61.71 -40.43 94.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.652 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -52.63 -22.03 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.91 -39.8 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.59 -45.3 93.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.763 HD13 ' HB ' ' A' ' 34' ' ' VAL . 11.5 tp -42.07 -61.99 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 9.9 mt-10 -43.54 -63.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -53.1 -60.69 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -42.7 -51.78 5.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -41.03 -82.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 13.9 t-80 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.0 -1.83 11.74 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.1 m -101.06 -39.64 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mm -62.68 -53.48 46.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.0 t -52.85 -43.66 66.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -57.73 11.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.9 mt -53.01 -39.47 63.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -67.29 -32.47 73.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.01 -23.46 41.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.451 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 1.8 mt -90.52 -39.53 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.414 ' O ' HG22 ' A' ' 27' ' ' VAL . 6.1 mt-30 -61.42 -50.5 72.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -55.86 -31.96 63.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.88 -60.47 2.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.489 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 11.3 m -59.78 -28.84 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -77.23 -40.12 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.64 -11.07 59.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.6 pp -117.81 4.6 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.78 ' O ' HG23 ' A' ' 35' ' ' VAL . 21.0 tt0 -64.94 -42.22 60.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.0 -0.35 9.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.666 ' C ' HD21 ' A' ' 49' ' ' LEU . 9.4 mt-30 -94.02 -10.39 33.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.72 ' HB ' HD13 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -114.16 -32.65 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 31' ' ' GLU . 63.8 t -61.61 -43.32 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.62 31.93 7.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.424 ' HE2' ' HB2' ' A' ' 93' ' ' ALA . 27.2 t80 -85.65 152.8 22.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.59 117.98 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.05 144.9 4.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD23 ' OG ' ' A' ' 94' ' ' SER . 9.1 mt -44.71 165.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.57 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 78.2 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.015 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.57 ' CD2' ' HA ' ' A' ' 41' ' ' SER . 52.2 t80 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.516 0.198 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -44.92 -67.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -40.25 -67.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.666 HD21 ' C ' ' A' ' 33' ' ' GLN . 2.9 mp -40.03 -66.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.54 -53.78 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.459 ' O ' HG22 ' A' ' 54' ' ' THR . 0.5 OUTLIER -51.46 -55.86 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.5 mt -48.78 -57.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.467 HD22 HG23 ' A' ' 82' ' ' THR . 35.6 mt -54.27 -58.46 7.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -51.31 -34.33 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.374 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -74.14 -55.01 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 19.5 mm100 -53.97 -47.14 71.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.579 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -55.03 -57.68 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.523 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.9 t80 -47.53 -27.14 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.77 -32.62 40.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.0 mt -62.33 -51.25 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -60.05 -24.84 64.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.52 -30.27 57.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.61 114.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -74.81 151.99 39.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.3 p -110.56 -36.88 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 59.75 25.09 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.88 56.7 10.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -129.46 100.85 5.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -38.38 -56.8 1.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' GLY . 21.8 m-20 -38.7 -55.59 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.421 HD11 ' CE1' ' A' ' 14' ' ' HIS . 78.3 mt -73.57 -58.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -37.52 -54.11 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.34 -59.48 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -50.56 -61.7 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -44.88 -69.66 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -48.83 -40.41 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -64.94 -28.65 69.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -86.77 -36.75 18.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.92 -18.55 45.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' ARG . 94.4 mt-30 -99.86 -49.57 4.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.84 -52.69 10.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.579 HG21 ' HB2' ' A' ' 57' ' ' LEU . 2.8 m -58.13 -60.57 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -58.01 -16.31 12.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -74.2 -46.52 41.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.714 HD22 ' CG1' ' A' ' 34' ' ' VAL . 5.2 mt -70.09 -43.72 70.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.409 ' HG ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -40.08 -38.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -62.25 -68.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -39.47 -41.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 110.293 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.72 HD13 ' HB ' ' A' ' 34' ' ' VAL . 10.2 tp -49.7 -47.98 50.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.717 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 2.6 tt0 -71.28 -54.74 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.14 -56.26 6.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' ALA . 4.8 m-20 -58.77 -40.69 84.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -40.2 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.467 ' OG ' HD23 ' A' ' 40' ' ' LEU . 21.5 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.64 ' CE1' HD11 ' A' ' 71' ' ' ILE . 10.9 t-80 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.06 -18.38 18.65 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.447 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 54.5 m -90.76 -42.6 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 mm -72.06 -47.31 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -59.04 -28.36 66.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 4.0 tpp180 -63.02 -59.67 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.604 HD12 ' NH2' ' A' ' 75' ' ' ARG . 12.5 mt -48.5 -38.04 19.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -63.82 -29.56 70.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' ARG . 8.0 tt0 -86.88 -12.97 46.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLU . 2.2 mt -99.4 -54.87 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -45.78 -41.01 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.23 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -64.18 -32.83 74.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' ILE . 3.4 mm-40 -71.73 -62.36 1.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.489 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 15.7 m -53.49 -32.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -76.94 -40.29 47.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.22 -11.1 60.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.3 pp -118.68 -1.21 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.668 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.2 tt0 -59.37 -46.67 98.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.05 -10.3 21.07 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.439 1.757 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -79.97 -15.99 56.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.691 ' CG2' HD12 ' A' ' 85' ' ' LEU . 1.5 m -109.43 -34.99 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 31' ' ' GLU . 81.7 t -62.47 -45.37 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.2 31.97 8.09 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 38' ' ' SER . 9.2 t80 -84.53 154.03 22.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.475 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 36.9 m -146.67 107.79 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.422 ' O ' ' CZ ' ' A' ' 37' ' ' PHE . . . 157.02 139.32 2.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.52 177.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.406 ' HA ' ' CG ' ' A' ' 46' ' ' TYR . 32.8 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.53 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 28.8 t80 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.502 0.191 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -65.62 -47.42 75.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -54.57 -49.35 70.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.4 mt -60.64 -64.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -49.46 -54.86 15.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -44.37 -51.42 8.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.423 HD12 ' O ' ' A' ' 48' ' ' ARG . 19.0 mt -50.38 -62.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' CD2' HD11 ' A' ' 30' ' ' ILE . 58.7 mt -53.89 -56.26 19.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -48.11 -49.36 32.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.451 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.432 ' N ' HG22 ' A' ' 54' ' ' THR . 0.3 OUTLIER -61.59 -57.83 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -51.2 -50.57 58.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.643 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -53.55 -60.95 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.529 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.8 t80 -46.67 -30.51 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.22 -31.34 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.522 HG23 ' HG3' ' A' ' 75' ' ' ARG . 39.7 mt -62.19 -49.29 84.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -69.93 -35.36 74.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -58.98 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 19' ' ' ARG . 18.5 t -40.76 115.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -59.6 165.81 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.537 HG22 HG22 ' A' ' 71' ' ' ILE . 45.5 p -136.67 -48.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.93 43.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.12 64.19 0.83 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -110.42 -21.05 12.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 80.21 -67.48 3.46 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' GLY . 28.4 m-20 -39.14 -36.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.64 HD11 ' CE1' ' A' ' 14' ' ' HIS . 94.9 mt -92.7 -53.17 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.64 -48.2 28.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.255 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -52.77 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.96 -55.85 17.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.604 ' NH2' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.32 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.295 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 75' ' ' ARG . 17.4 ptmt -39.69 -38.44 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -47.98 63.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.535 ' CB ' HD22 ' A' ' 20' ' ' LEU . . . -66.25 -47.84 72.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.04 -53.74 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -54.03 -49.22 69.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.34 -61.77 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.643 HG21 ' HB2' ' A' ' 57' ' ' LEU . 47.1 m -44.84 -61.01 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.69 -50.1 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.22 -52.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.691 HD12 ' CG2' ' A' ' 34' ' ' VAL . 1.4 mm? -63.89 -55.1 25.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.32 -49.02 2.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -61.02 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' ASN . 3.0 mm-40 -46.99 -53.0 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.53 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 46.8 tp -41.17 -60.54 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.766 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 8.0 mt-10 -42.83 -59.56 1.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 93' ' ' ALA . 1.7 mm-40 -60.48 -64.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' GLU . 4.3 m-80 -39.98 -31.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -51.68 -72.43 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.509 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.2 t-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.99 -18.93 18.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.425 ' HB2' HD13 ' A' ' 71' ' ' ILE . 8.5 m -87.21 -32.53 19.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 mm -75.5 -51.03 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.7 t -56.65 -18.36 11.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.627 ' HG3' HD12 ' A' ' 23' ' ' ILE . 2.9 tpp180 -84.45 -59.38 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 110.357 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -49.41 -43.74 44.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -52.62 -30.62 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.59 -29.71 25.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.627 HD12 ' HG3' ' A' ' 19' ' ' ARG . 7.6 mt -77.44 -35.24 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.409 ' O ' HG22 ' A' ' 27' ' ' VAL . 2.7 mm-40 -67.92 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 8.6 ptm180 -45.42 -25.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.05 -67.03 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.667 HG11 ' OG1' ' A' ' 82' ' ' THR . 14.6 m -51.86 -29.69 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -80.21 -41.27 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -71.59 -3.92 24.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.0 pp -124.27 0.08 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.948 ' HG3' HD11 ' A' ' 85' ' ' LEU . 8.1 tt0 -62.49 -45.26 89.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.97 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.807 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -87.4 -20.59 26.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.621 HG22 HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -101.59 -36.58 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 31' ' ' GLU . 59.9 t -63.75 -40.85 90.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.77 29.76 11.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 14.6 t80 -83.17 152.18 25.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.66 92.64 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.72 128.43 1.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.469 ' HG ' ' CB ' ' A' ' 94' ' ' SER . 0.3 OUTLIER -60.25 140.62 56.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' LEU . 13.9 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.05 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.42 ' CE1' ' HG ' ' A' ' 89' ' ' LEU . 51.2 t80 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.455 0.169 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -48.32 -61.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' LYS . 3.5 ttm-85 -38.38 -58.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.69 ' HA ' HD12 ' A' ' 52' ' ' ILE . 76.1 mt -47.51 -62.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.574 ' HG3' HD21 ' A' ' 86' ' ' LEU . 6.5 tt0 -53.06 -52.83 57.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -42.16 -43.25 3.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 49' ' ' LEU . 10.3 mt -59.89 -63.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD13 ' CA ' ' A' ' 86' ' ' LEU . 29.9 mt -53.56 -57.0 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -51.64 -49.41 62.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -58.96 -56.54 20.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 25.7 mm100 -52.4 -46.78 66.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.644 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.0 OUTLIER -51.66 -54.19 30.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.511 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.8 t80 -50.64 -26.83 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -80.49 -31.34 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.41 HG12 HG21 ' A' ' 23' ' ' ILE . 57.2 mt -61.82 -42.07 93.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.51 -28.11 66.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -39.74 78.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.01 116.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -75.54 168.48 19.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.1 p -129.97 -55.35 1.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.92 38.04 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.76 65.26 1.83 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -112.25 -32.86 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.82 -63.4 2.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -40.29 -47.69 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.425 HD13 ' HB2' ' A' ' 16' ' ' SER . 38.5 mt -82.31 -54.08 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -45.45 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -49.17 78.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -63.39 -60.17 3.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -42.58 -70.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -44.2 -50.67 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.484 ' N ' ' CG ' ' A' ' 76' ' ' LYS . 17.2 mmt85 -56.63 -37.16 70.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -74.5 -41.99 59.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.9 -41.98 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -75.26 -44.27 46.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -60.64 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.667 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.5 m -47.03 -60.61 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.5 -47.81 38.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -66.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.948 HD11 ' HG3' ' A' ' 31' ' ' GLU . 4.1 mm? -50.61 -51.51 48.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.574 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -41.57 -49.43 4.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -52.85 63.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -52.84 -39.04 62.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 49' ' ' LEU . 4.1 tp -54.12 -62.56 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 35.7 mt-10 -40.34 -56.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -62.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -40.72 -37.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -44.2 -73.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.469 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.575 ' CE1' HD11 ' A' ' 71' ' ' ILE . 9.5 t-80 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.01 -20.97 16.32 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.494 ' OG ' HG13 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -87.68 -54.28 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.979 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -56.04 -48.49 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 t -60.8 -19.58 59.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.017 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.482 ' O ' HD12 ' A' ' 23' ' ' ILE . 7.1 tpp180 -79.78 -51.42 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.968 HD11 HG11 ' A' ' 63' ' ' VAL . 9.4 mp -56.17 -40.42 73.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -66.64 -23.89 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.34 -5.97 53.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.601 HD11 ' OE1' ' A' ' 59' ' ' GLU . 2.5 mt -111.36 -36.09 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -62.35 -49.93 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -55.99 -28.4 57.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.02 -63.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.73 HG11 ' OG1' ' A' ' 82' ' ' THR . 13.1 m -55.29 -30.2 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -41.07 28.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -69.16 -13.95 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.629 HG21 HG21 ' A' ' 52' ' ' ILE . 2.2 pp -112.91 4.76 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.693 ' O ' HG23 ' A' ' 35' ' ' VAL . 25.6 tt0 -66.01 -42.69 53.5 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.96 -0.99 10.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.725 ' C ' HD21 ' A' ' 49' ' ' LEU . 15.6 mt-30 -92.02 -7.21 49.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.664 ' CG1' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -122.94 -37.75 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 31' ' ' GLU . 25.3 t -37.95 -69.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.38 49.67 0.83 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.499 ' CG ' ' N ' ' A' ' 38' ' ' SER . 29.3 t80 -81.06 164.86 22.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.499 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 91.7 p -146.49 105.73 3.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.452 ' HA3' ' CZ ' ' A' ' 37' ' ' PHE . . . 178.64 147.87 7.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.2 145.23 51.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.522 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 3.6 t80 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.561 0.22 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm -48.34 -60.25 2.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -59.06 -54.4 47.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.725 HD21 ' C ' ' A' ' 33' ' ' GLN . 2.3 mp -40.73 -59.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 54' ' ' THR . 5.0 tt0 -49.89 -63.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 54' ' ' THR . 13.4 mmt180 -45.22 -52.66 9.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.629 HG21 HG21 ' A' ' 30' ' ' ILE . 66.5 mt -49.01 -60.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.601 HD22 HG23 ' A' ' 82' ' ' THR . 44.6 mt -57.26 -56.55 20.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -45.13 -38.14 4.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -48.8 34.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 14.2 mm100 -59.75 -47.75 84.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.646 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.4 tm? -54.73 -57.73 10.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.535 ' N ' HD13 ' A' ' 57' ' ' LEU . 2.1 t80 -47.41 -28.19 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.601 ' OE1' HD11 ' A' ' 23' ' ' ILE . 1.3 mm-40 -78.1 -32.38 50.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 57' ' ' LEU . 33.0 mt -62.96 -47.59 92.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.69 -15.47 62.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.47 -36.7 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.968 HG11 HD11 ' A' ' 20' ' ' LEU . 24.7 t -60.24 117.3 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -83.84 137.35 33.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -98.38 -32.49 11.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.78 40.48 26.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.98 56.78 20.53 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' ILE . 23.7 mttm -129.89 91.0 3.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 0.738 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -39.41 -58.18 2.1 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 69' ' ' GLY . 1.5 m-20 -38.7 -37.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.376 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.575 HD11 ' CE1' ' A' ' 14' ' ' HIS . 97.8 mt -91.77 -56.63 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.32 -45.88 6.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -54.77 43.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -56.83 -54.58 44.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -50.21 -67.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -49.73 -25.22 2.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 5.0 mmm180 -81.86 -31.99 31.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -79.17 -22.1 45.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.4 -35.67 76.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -80.27 -37.77 32.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -62.8 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.73 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -50.64 -58.95 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -49.7 -39.66 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.89 -60.33 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.664 HD12 ' CG1' ' A' ' 34' ' ' VAL . 3.5 mm? -56.76 -52.01 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.46 ' HG ' HD13 ' A' ' 53' ' ' LEU . 1.4 mt -40.96 -60.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mmmt -39.87 -54.72 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.64 -40.49 83.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.522 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 9.5 tp -44.27 -28.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.549 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.7 OUTLIER -84.73 -54.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -58.03 -56.08 26.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 35' ' ' VAL . 1.3 m-80 -52.31 -44.78 65.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -40.47 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.041 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.59 ' CE1' HD11 ' A' ' 71' ' ' ILE . 18.4 t-80 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -75.02 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 50.6 m -107.9 -48.06 3.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.2 mm -63.37 -40.22 88.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 t -60.12 -34.9 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -63.98 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.042 ' CD1' HG21 ' A' ' 63' ' ' VAL . 1.3 mp -44.68 -36.87 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -67.51 -40.38 85.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -77.81 -11.16 59.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.508 HG23 ' HB3' ' A' ' 56' ' ' GLN . 1.7 mt -100.7 -30.01 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.528 ' O ' HG22 ' A' ' 27' ' ' VAL . 50.6 mt-30 -68.54 -53.15 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 26' ' ' GLU . 3.4 ptm180 -54.02 -22.06 9.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.3 mm-40 -75.4 -56.27 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 24' ' ' GLN . 20.3 m -61.36 -29.2 45.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -77.45 -37.76 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.234 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.65 -9.36 58.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.501 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.3 pp -120.15 3.66 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 24.8 tt0 -66.27 -43.25 53.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.01 1.13 8.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.639 ' C ' HD21 ' A' ' 49' ' ' LEU . 16.2 mt-30 -93.82 -12.01 29.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.728 ' CG1' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -113.45 -33.26 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.35 -43.31 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.35 22.08 42.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.462 ' CG ' ' N ' ' A' ' 38' ' ' SER . 84.4 t80 -73.75 169.79 16.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.462 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -167.61 103.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.74 -161.52 35.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 mt -100.81 175.38 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.531 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 56.3 t80 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.553 0.216 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -54.72 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.61 -67.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.639 HD21 ' C ' ' A' ' 33' ' ' GLN . 2.8 mp -41.9 -65.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 54' ' ' THR . 2.8 tt0 -40.18 -55.95 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.403 ' O ' HG22 ' A' ' 54' ' ' THR . 16.0 mmt85 -55.76 -50.04 71.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -52.35 -55.24 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.09 -58.41 8.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -50.19 -44.3 52.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -60.35 -63.76 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.508 ' HB3' HG23 ' A' ' 23' ' ' ILE . 17.1 mm100 -44.44 -51.38 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.646 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -54.1 -57.44 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.51 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.3 t80 -47.73 -27.54 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 1.6 mm-40 -79.39 -32.25 43.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' LEU . 53.1 mt -61.61 -49.38 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.86 -29.86 68.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -38.57 91.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 1.042 HG21 ' CD1' ' A' ' 20' ' ' LEU . 3.5 t -59.58 111.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -79.47 115.6 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.719 HG22 HG22 ' A' ' 71' ' ' ILE . 22.9 p -84.68 -14.89 47.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 39.1 45.52 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.59 59.21 1.64 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -103.82 -20.93 13.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.38 -50.06 4.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -49.51 -57.27 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.719 HG22 HG22 ' A' ' 65' ' ' THR . 12.7 mt -75.11 -54.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' ILE . 7.7 mt-30 -76.05 -58.13 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -62.96 -46.05 89.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.46 ' NE ' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -50.46 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -27.57 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -76.49 -34.12 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -81.2 -33.5 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.63 85.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.53 -41.51 75.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.646 HG21 ' HB2' ' A' ' 57' ' ' LEU . 52.3 m -46.62 -62.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -48.48 -47.1 38.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.34 -60.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.728 HD12 ' CG1' ' A' ' 34' ' ' VAL . 1.8 mm? -56.52 -48.36 77.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.68 -62.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -43.67 -58.35 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -47.3 -45.6 24.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.659 ' HA ' HG23 ' A' ' 34' ' ' VAL . 8.8 tp -41.89 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 3.0 mt-10 -38.56 -61.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.14 -64.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -40.17 -51.72 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -40.44 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.468 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 12.3 t-80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.99 -15.43 20.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.647 ' HB2' HD13 ' A' ' 71' ' ' ILE . 48.0 m -91.59 -34.8 14.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 71' ' ' ILE . 16.5 mm -67.48 -55.32 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.8 t -48.54 -44.57 36.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -53.79 -59.15 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 74' ' ' ALA . 38.7 mt -49.72 -47.06 50.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.25 -21.67 65.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.2 tt0 -95.05 -16.51 22.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.582 HG23 ' HB3' ' A' ' 56' ' ' GLN . 4.4 mt -91.69 -38.05 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.31 -46.94 86.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -58.64 -29.75 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 30' ' ' ILE . 3.5 mm-40 -68.94 -59.89 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.781 HG11 ' OG1' ' A' ' 82' ' ' THR . 12.7 m -59.95 -32.07 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -43.51 65.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.7 -20.92 65.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.548 HG21 HG21 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -109.11 6.22 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.679 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 22.8 tt0 -64.45 -40.45 50.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.03 -30.34 7.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.716 ' HB3' HD21 ' A' ' 49' ' ' LEU . 23.5 mt-30 -62.66 -21.56 65.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.54 ' HB ' HD12 ' A' ' 85' ' ' LEU . 74.4 t -93.23 -48.95 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.57 -38.87 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.67 19.02 56.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CD2' HD12 ' A' ' 89' ' ' LEU . 15.4 t80 -68.06 174.12 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.99 89.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.464 ' O ' ' CA ' ' A' ' 93' ' ' ALA . . . 170.74 172.25 36.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.76 178.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.79 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.6 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CE2' ' OE1' ' A' ' 50' ' ' GLU . 66.0 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.529 0.204 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -70.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' LEU . 3.5 tpt85 -38.53 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.814 ' HA ' HD12 ' A' ' 52' ' ' ILE . 5.8 mp -38.9 -61.29 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.427 ' OE1' ' CE2' ' A' ' 46' ' ' TYR . 3.4 tt0 -47.31 -58.84 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.461 ' O ' HG22 ' A' ' 54' ' ' THR . 7.7 mtt180 -43.69 -47.97 7.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 49' ' ' LEU . 14.8 mt -54.3 -71.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.543 HD22 HG23 ' A' ' 82' ' ' THR . 39.6 mt -44.28 -55.67 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -50.59 -34.5 26.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -77.07 -46.65 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.582 ' HB3' HG23 ' A' ' 23' ' ' ILE . 28.4 mm100 -61.5 -46.09 91.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.635 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.1 tm? -53.97 -57.22 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.525 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.7 t80 -47.77 -27.67 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.521 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -79.11 -32.07 44.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.431 ' CG2' ' HG2' ' A' ' 75' ' ' ARG . 26.0 mt -62.5 -48.12 89.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.76 -31.53 72.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -35.7 81.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.413 HG13 ' HB3' ' A' ' 16' ' ' SER . 3.2 t -58.66 114.69 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -85.51 130.95 34.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 67' ' ' GLY . 81.3 p -113.59 85.67 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.68 63.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' THR . . . 37.42 63.81 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -112.69 -31.51 6.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.734 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.44 -63.85 2.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -41.71 -42.57 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 16' ' ' SER . 29.4 mt -86.43 -52.3 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.404 ' HA ' HG21 ' A' ' 65' ' ' THR . 0.1 OUTLIER -45.06 -43.94 9.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -59.72 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 20' ' ' LEU . . . -49.86 -67.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.431 ' HG2' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -40.97 -63.23 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -40.37 -59.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -56.99 -46.71 82.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.41 -49.86 68.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.405 ' CA ' HG21 ' A' ' 60' ' ' ILE . . . -49.33 -44.71 44.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -72.16 -44.82 62.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.74 -62.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.781 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -47.82 -61.52 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.365 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.89 -37.28 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -44.44 83.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.54 HD12 ' HB ' ' A' ' 34' ' ' VAL . 1.6 mm? -73.47 -44.03 58.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.52 ' HG ' HD13 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -54.62 -42.16 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -33.47 64.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 1.3 mm-40 -68.59 -17.55 64.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.602 HD12 ' CD2' ' A' ' 37' ' ' PHE . 45.1 tp -86.69 -59.94 2.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 91' ' ' GLN . 8.5 pt-20 -46.3 -36.76 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 1.4 mt-30 -76.03 -61.08 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 27.9 m-20 -52.02 -28.17 16.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.464 ' CA ' ' O ' ' A' ' 39' ' ' GLY . . . -46.05 -72.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.0 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.493 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.7 t-80 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.1 Cg_endo -75.01 -32.69 5.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.768 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.424 ' HB3' HG13 ' A' ' 63' ' ' VAL . 49.3 m -71.81 -34.71 69.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.462 ' CD1' HG12 ' A' ' 71' ' ' ILE . 18.2 mm -68.04 -59.15 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.9 t -51.33 -27.14 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -73.54 -68.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -53.64 -25.43 17.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -72.57 -29.94 63.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.29 -25.41 54.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.574 HG21 HG12 ' A' ' 60' ' ' ILE . 1.4 mt -79.58 -24.67 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.483 ' O ' HG22 ' A' ' 27' ' ' VAL . 6.0 mt-30 -68.03 -52.57 34.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -28.23 46.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.65 -62.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.606 HG11 ' OG1' ' A' ' 82' ' ' THR . 15.9 m -54.27 -28.15 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -78.64 -39.45 37.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.88 -11.62 60.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 34' ' ' VAL . 2.6 pp -115.63 -3.72 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 13.3 tt0 -55.0 -44.41 99.59 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.06 -39.27 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -53.94 -20.74 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.63 HG22 HD13 ' A' ' 49' ' ' LEU . 63.5 t -94.43 -50.9 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 31' ' ' GLU . 95.1 t -58.1 -38.05 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.62 26.96 22.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' A' ' 38' ' ' SER . 36.3 t80 -75.7 162.99 27.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -150.55 102.73 3.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 93' ' ' ALA . . . 172.89 158.85 18.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.42 143.47 29.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.534 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 29.6 t80 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.536 0.208 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -47.01 -45.63 21.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -52.43 -66.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.85 ' HA ' HD12 ' A' ' 52' ' ' ILE . 18.1 mt -45.19 -62.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -50.02 -37.6 33.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.421 ' O ' HG22 ' A' ' 54' ' ' THR . 7.6 mmt180 -66.36 -35.97 81.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 49' ' ' LEU . 23.0 mt -61.24 -65.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.494 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . 3.9 mm? -45.62 -62.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -48.85 -53.0 21.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 54' ' ' THR . 1.1 tmtt? -54.54 -53.86 48.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -57.77 -47.4 82.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.829 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.9 OUTLIER -50.59 -54.85 19.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.545 ' N ' HD13 ' A' ' 57' ' ' LEU . 4.1 t80 -51.1 -26.2 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.447 ' OE1' HD11 ' A' ' 23' ' ' ILE . 3.6 mm-40 -81.59 -29.95 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.574 HG12 HG21 ' A' ' 23' ' ' ILE . 7.3 mt -66.22 -50.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.15 -27.68 68.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -35.07 78.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.664 HG11 ' HB3' ' A' ' 20' ' ' LEU . 3.6 t -69.19 108.39 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -62.19 172.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.762 HG22 HG22 ' A' ' 71' ' ' ILE . 25.7 p -131.94 -50.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 65.42 51.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.63 37.64 61.62 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.536 1.148 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -111.0 90.42 3.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.75 -40.82 12.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -50.82 -22.26 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.762 HG22 HG22 ' A' ' 65' ' ' THR . 80.8 mt -103.42 -50.03 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -39.64 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -60.77 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB3' HD21 ' A' ' 20' ' ' LEU . . . -50.33 -69.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.731 ' HG3' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -38.8 -61.91 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.81 -63.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -49.14 -31.5 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 75' ' ' ARG . . . -77.27 -37.2 53.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -60.63 -37.42 81.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -75.91 -42.38 49.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -49.26 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.829 HG21 ' HB2' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -59.91 -65.5 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.478 ' N ' HG22 ' A' ' 82' ' ' THR . 0.9 OUTLIER -44.92 -51.03 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -49.99 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 3.1 mm? -64.13 -45.25 89.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.494 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -43.17 -58.04 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 88' ' ' GLU . 7.1 mmmt -52.72 -55.97 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 87' ' ' LYS . 1.9 mm-40 -38.08 -47.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.544 ' CD1' HD12 ' A' ' 49' ' ' LEU . 33.4 tp -43.84 -59.65 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.64 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 28.2 mt-10 -45.51 -44.25 12.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -66.7 -65.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -48.16 -29.73 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -46.06 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.971 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.494 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.2 t-80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.494 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.03 -23.02 14.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.549 ' HB2' HD13 ' A' ' 71' ' ' ILE . 41.5 m -85.93 -16.91 36.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.001 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 mm -89.84 -55.39 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.9 t -44.76 -34.31 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.597 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -61.66 -57.68 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.743 HD21 ' HA ' ' A' ' 75' ' ' ARG . 9.4 mt -56.62 -20.9 23.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -86.25 -16.05 38.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -99.22 -16.04 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.597 HD12 ' HG3' ' A' ' 19' ' ' ARG . 31.2 mt -97.49 -43.4 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 24.1 mt-30 -58.38 -42.45 87.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -63.74 -27.91 69.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.36 -61.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.855 HG11 ' OG1' ' A' ' 82' ' ' THR . 18.2 m -53.76 -29.34 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 24' ' ' GLN . 1.4 mmtp -75.92 -45.17 36.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.54 -10.35 50.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.635 HD11 ' CD2' ' A' ' 53' ' ' LEU . 1.1 pp -120.82 -2.05 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 18.3 tt0 -55.27 -44.53 99.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.5 Cg_endo -75.02 -20.03 17.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -70.3 -19.27 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.352 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.446 ' HB ' HD22 ' A' ' 85' ' ' LEU . 72.6 t -100.98 -44.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 31' ' ' GLU . 59.0 t -62.6 -38.31 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.17 26.51 24.02 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 17.4 t80 -79.14 155.56 28.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.81 100.42 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 93' ' ' ALA . . . 165.28 144.87 4.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -48.08 171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.578 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 19.4 m . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 41' ' ' SER . 72.2 t80 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.499 0.19 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -48.12 -53.47 16.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -51.89 -61.09 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.846 ' HA ' HD12 ' A' ' 52' ' ' ILE . 68.4 mt -44.65 -64.49 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.786 ' HG3' HD21 ' A' ' 86' ' ' LEU . 16.3 tt0 -51.26 -44.79 61.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -52.34 -41.5 63.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.846 HD12 ' HA ' ' A' ' 49' ' ' LEU . 11.5 mt -60.82 -59.65 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.635 ' CD2' HD11 ' A' ' 30' ' ' ILE . 97.2 mt -56.08 -56.19 23.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -53.9 -44.53 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 4.3 tptm -64.79 -53.14 51.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 18.6 mm100 -55.6 -49.15 73.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.556 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.4 tm? -53.01 -54.1 40.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.456 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.1 t80 -50.3 -26.75 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.522 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -79.83 -30.31 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.436 ' O ' ' CD ' ' A' ' 75' ' ' ARG . 55.9 mt -65.04 -44.92 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -72.96 -4.69 33.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.63 -56.49 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.567 HG12 ' HD2' ' A' ' 75' ' ' ARG . 1.6 p -57.08 129.65 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -84.62 175.8 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -130.72 -44.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 79.16 45.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.35 63.64 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -112.32 -32.96 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 98.89 -65.05 0.71 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.56 1.163 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' GLY . 36.7 m-20 -39.82 -52.11 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 16' ' ' SER . 35.3 mt -75.19 -55.89 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.488 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -42.5 -55.05 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 0.7 OUTLIER -53.2 -41.08 64.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.428 ' CB ' HD13 ' A' ' 20' ' ' LEU . . . -67.1 -66.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.743 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -39.01 -57.86 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.488 ' CE ' ' OE1' ' A' ' 72' ' ' GLN . 14.1 ptpt -57.61 -42.29 82.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 17.6 mmt180 -62.49 -45.21 94.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.06 97.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -55.76 -37.01 67.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.13 -37.94 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.92 -58.92 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.855 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.2 m -55.07 -42.85 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 50.0 mm-40 -66.39 -21.12 66.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -49.72 52.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.582 ' HB3' HD11 ' A' ' 53' ' ' LEU . 3.5 mt -58.95 -51.32 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.786 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -43.89 -40.24 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -64.89 -44.4 89.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -59.62 -46.82 87.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.5 tp -45.63 -63.84 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.654 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 4.0 mm-40 -39.07 -61.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' ASN . 18.0 mt-30 -58.99 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' GLN . 1.5 m-80 -39.93 -43.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -39.93 -76.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.448 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 10.2 t-80 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -74.99 -19.17 18.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.46 ' HB2' HD13 ' A' ' 71' ' ' ILE . 29.9 m -88.16 -22.82 23.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.409 ' CD1' HG12 ' A' ' 71' ' ' ILE . 21.1 mm -86.65 -47.56 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.5 t -55.71 -22.14 22.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.676 ' HG3' HD12 ' A' ' 23' ' ' ILE . 2.1 tpp180 -80.32 -48.19 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.77 -42.64 93.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -56.48 -33.6 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -35.19 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.676 HD12 ' HG3' ' A' ' 19' ' ' ARG . 3.0 mt -71.99 -37.75 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' GLU . 8.6 mt-30 -64.84 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 7.5 ptp180 -43.44 -27.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.6 mm-40 -73.21 -70.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 23' ' ' ILE . 4.2 m -51.64 -28.37 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -43.2 34.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . -65.18 -16.82 63.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.509 HG12 HG21 ' A' ' 52' ' ' ILE . 2.4 pp -111.17 11.61 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.824 ' HG3' HD21 ' A' ' 85' ' ' LEU . 26.7 tt0 -72.85 -42.69 7.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.1 Cg_endo -75.0 1.18 8.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.779 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.632 ' C ' HD21 ' A' ' 49' ' ' LEU . 18.6 mt-30 -96.68 -6.78 35.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.712 ' HB ' HD13 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -119.35 -35.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.99 -44.93 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.68 21.17 46.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.123 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 38' ' ' SER . 92.8 t80 -76.62 167.09 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.428 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -167.87 101.66 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.09 173.9 37.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.055 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 mt -73.26 170.62 14.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.425 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 11.3 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' A' ' 41' ' ' SER . 46.7 t80 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.488 0.185 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 51' ' ' ARG . 7.5 mmmm -54.59 -37.71 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -59.19 -58.83 6.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.632 HD21 ' C ' ' A' ' 33' ' ' GLN . 5.3 mp -52.71 -60.93 2.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.07 -36.15 28.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 4.0 mmt85 -69.47 -29.75 67.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 49' ' ' LEU . 18.3 mt -70.71 -69.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 82' ' ' THR . 2.9 mm? -38.76 -65.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.26 -45.04 8.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -62.92 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 8.5 mm100 -49.5 -43.23 45.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.761 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.4 tm? -51.48 -54.18 29.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.47 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.3 t80 -51.0 -26.16 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.511 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -81.67 -31.89 32.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.404 HG23 ' HG2' ' A' ' 75' ' ' ARG . 25.2 mt -62.74 -48.25 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -61.73 -31.33 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -53.1 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.0 t -40.28 123.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -89.63 135.62 33.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.673 HG22 HG22 ' A' ' 71' ' ' ILE . 41.3 p -121.22 84.69 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.81 62.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' THR . . . 36.86 67.98 0.38 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -116.77 -39.62 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.82 -63.21 0.67 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -41.17 -37.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.673 HG22 HG22 ' A' ' 65' ' ' THR . 46.8 mt -92.02 -51.78 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -42.99 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -56.36 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.365 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -55.32 -58.56 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -45.83 -68.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 5.5 pttt -48.08 -39.21 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.405 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 8.8 mmm180 -67.15 -30.51 70.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -84.19 -35.24 23.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.53 -20.83 63.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 84' ' ' ARG . 91.7 mt-30 -92.04 -49.21 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.09 -62.61 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.761 HG21 ' HB2' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -45.45 -59.68 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -60.82 -21.57 63.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -70.76 -40.03 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.824 HD21 ' HG3' ' A' ' 31' ' ' GLU . 13.1 mt -77.56 -47.83 18.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 1.2 mt -39.44 -49.24 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -67.95 -43.1 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.6 mm-40 -51.67 -47.11 63.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.712 HD13 ' HB ' ' A' ' 34' ' ' VAL . 12.4 tp -52.56 -61.61 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -53.46 -32.4 49.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -74.99 -28.47 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -108.48 21.12 17.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.39 -83.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.764 ' CE1' HD11 ' A' ' 71' ' ' ILE . 9.7 t-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.0 -23.53 13.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.721 ' O ' HD13 ' A' ' 20' ' ' LEU . 51.2 m -81.68 -39.44 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mm -68.83 -48.38 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.5 t -51.26 -24.81 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.583 ' HG3' HD12 ' A' ' 23' ' ' ILE . 3.6 tpp180 -82.55 -44.27 16.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.813 ' CD1' HG21 ' A' ' 63' ' ' VAL . 11.1 mp -59.84 -42.47 93.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -60.08 -23.21 63.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.11 -14.56 30.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.583 HD12 ' HG3' ' A' ' 19' ' ' ARG . 6.0 mt -94.46 -41.95 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.497 ' O ' HG22 ' A' ' 27' ' ' VAL . 22.8 mt-30 -60.87 -44.64 96.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -61.44 -30.75 70.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.259 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.02 -55.72 13.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.777 HG11 ' OG1' ' A' ' 82' ' ' THR . 17.1 m -61.66 -27.07 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -40.76 28.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.76 -12.53 61.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.581 ' O ' HG13 ' A' ' 34' ' ' VAL . 2.4 pp -114.56 -6.86 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.5 tt0 -51.01 -46.27 88.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.01 -18.23 18.86 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.788 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.507 HE21 HG22 ' A' ' 30' ' ' ILE . 10.1 mt-30 -74.89 -16.8 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 30' ' ' ILE . 2.0 m -109.54 -34.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 31' ' ' GLU . 55.9 t -62.53 -51.1 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.32 34.86 5.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 49' ' ' LEU . 24.2 t80 -81.96 159.39 23.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.79 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.404 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -152.64 102.58 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.35 132.82 1.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.672 HD22 ' HB2' ' A' ' 94' ' ' SER . 2.4 mm? -59.95 145.68 45.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 17.6 t80 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.459 0.171 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -48.89 41.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -51.08 69.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.625 ' HA ' HD12 ' A' ' 52' ' ' ILE . 53.1 mt -49.59 -51.21 38.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.623 ' HG3' HD21 ' A' ' 86' ' ' LEU . 13.4 tt0 -67.32 -55.52 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 mmt180 -40.63 -38.88 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 49' ' ' LEU . 19.1 mt -56.83 -69.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 82' ' ' THR . 3.8 mm? -41.68 -64.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -49.74 -52.36 32.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.442 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -53.77 -44.7 70.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.7 mm100 -68.11 -49.25 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.829 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.7 tm? -51.4 -56.83 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.47 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -47.5 -28.75 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HB3' HD11 ' A' ' 23' ' ' ILE . 4.6 mm-40 -78.9 -30.93 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.481 HG12 HG21 ' A' ' 23' ' ' ILE . 37.5 mt -65.7 -51.94 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.65 -24.25 66.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.33 -30.29 68.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.813 HG21 ' CD1' ' A' ' 20' ' ' LEU . 2.2 t -64.13 107.19 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.37 118.95 8.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.599 HG22 HG22 ' A' ' 71' ' ' ILE . 69.7 p -87.38 -35.53 18.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 54.32 25.5 5.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.86 38.47 41.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.594 ' HB2' HD12 ' A' ' 71' ' ' ILE . 17.2 mttt -103.49 103.77 13.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 71' ' ' ILE . . . -45.79 -50.2 11.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -45.42 -26.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.764 HD11 ' CE1' ' A' ' 14' ' ' HIS . 44.1 mt -101.95 -55.09 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.58 -27.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -54.29 5.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -65.4 -56.37 12.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -37.57 -71.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -49.74 -47.73 50.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.25 -53.44 35.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.21 82.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.58 -35.98 9.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 84' ' ' ARG . 79.1 mt-30 -71.04 -52.87 17.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER -44.25 -63.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.829 HG21 ' HB2' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -47.53 -61.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.433 ' N ' HG22 ' A' ' 82' ' ' THR . 15.1 mm-40 -56.69 -18.59 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 1.6 ttt85 -71.65 -41.3 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 31' ' ' GLU . 5.2 mt -76.51 -48.67 18.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.623 HD21 ' HG3' ' A' ' 50' ' ' GLU . 1.2 mt -37.93 -42.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -58.76 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -47.94 -48.5 32.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 33.0 tp -45.78 -57.02 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.789 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 2.7 mt-10 -47.78 -59.96 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.04 -62.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -41.33 -33.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -49.07 -73.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.672 ' HB2' HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.065 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.538 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 8.1 t-80 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.0 -24.25 13.0 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.467 ' HB3' ' ND1' ' A' ' 14' ' ' HIS . 28.8 t -82.0 -7.11 59.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.79 HD11 HG12 ' A' ' 71' ' ' ILE . 6.1 mm -106.46 -35.76 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 t -69.54 -30.97 68.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.455 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -60.53 -56.83 16.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.637 HD11 HG11 ' A' ' 63' ' ' VAL . 4.2 mp -52.38 -43.54 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -50.09 -25.86 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.35 -25.13 19.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.455 HD12 ' HG3' ' A' ' 19' ' ' ARG . 3.1 mt -83.4 -31.0 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -67.14 -50.58 60.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -24.76 39.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.52 -61.59 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.493 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 18.7 m -57.59 -26.17 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 1.7 mmtp -79.16 -41.4 28.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -8.71 41.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.892 HD11 HD21 ' A' ' 53' ' ' LEU . 2.5 pp -119.83 6.47 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.681 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.9 tt0 -68.26 -41.77 26.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -74.96 -1.57 11.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -89.28 -58.96 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.777 HG23 ' HA ' ' A' ' 89' ' ' LEU . 0.8 OUTLIER -62.56 -38.53 81.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 31' ' ' GLU . 89.4 t -62.11 -48.26 89.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.64 33.33 6.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.117 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 11.2 t80 -84.06 152.84 24.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.432 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -147.4 101.74 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.43 -140.29 3.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.438 ' C ' ' HB1' ' A' ' 93' ' ' ALA . 18.2 mt -124.75 -178.78 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.431 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 5.4 t80 . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.46 0.171 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -42.23 -49.9 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -57.64 10.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.838 ' HA ' HD12 ' A' ' 52' ' ' ILE . 77.9 mt -43.3 -56.14 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.514 ' HG3' HD21 ' A' ' 86' ' ' LEU . 18.4 tt0 -58.03 -52.63 64.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.99 -46.28 11.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 49' ' ' LEU . 5.8 mt -56.55 -64.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.892 HD21 HD11 ' A' ' 30' ' ' ILE . 83.4 mt -51.6 -56.8 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -48.98 -42.98 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -49.89 66.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 14.8 mm100 -59.42 -46.12 89.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.5 tm? -57.4 -58.62 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.458 ' N ' HD13 ' A' ' 57' ' ' LEU . 7.2 t80 -46.9 -28.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.74 -32.55 57.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.478 HG23 ' HG3' ' A' ' 75' ' ' ARG . 78.1 mt -60.36 -45.13 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -70.29 -33.93 72.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -58.99 -61.2 2.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.94 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.637 HG11 HD11 ' A' ' 20' ' ' LEU . 41.8 t -43.74 108.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -59.85 159.85 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.452 ' CG2' ' HD2' ' A' ' 75' ' ' ARG . 27.6 p -115.86 -33.86 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 68.64 20.92 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.46 56.81 15.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' ILE . 2.5 mttm -132.87 102.14 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -39.02 -61.74 1.34 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' GLY . 7.2 m-20 -37.42 -35.4 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.79 HG12 HD11 ' A' ' 17' ' ' ILE . 7.7 mt -92.49 -59.71 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.52 -44.14 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -53.1 -57.3 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -40.26 -65.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.611 HH21 HG11 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -37.48 -70.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 75' ' ' ARG . 2.8 tttt -39.67 -58.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -53.28 -44.34 68.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.5 -49.27 77.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.24 -56.5 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -51.76 -25.54 7.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.22 -52.61 7.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.457 ' OG1' HG11 ' A' ' 27' ' ' VAL . 4.5 m -65.43 -42.35 92.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -68.88 -17.58 64.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -73.88 -48.64 29.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.766 HD22 ' CG1' ' A' ' 34' ' ' VAL . 5.0 mt -67.11 -51.38 54.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.514 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -40.1 -38.52 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -63.79 -53.62 48.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' LEU . 1.4 mm-40 -57.53 -27.35 62.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.777 ' HA ' HG23 ' A' ' 34' ' ' VAL . 6.2 tp -56.19 -51.57 67.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.725 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 3.0 mt-10 -58.14 -55.8 30.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -55.6 -66.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' GLN . 18.8 m-80 -40.28 -43.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -41.31 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.753 ' CE1' HD11 ' A' ' 71' ' ' ILE . 8.9 t-80 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.01 -20.3 16.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.671 ' OG ' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -84.62 -42.07 15.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.9 mm -65.14 -42.86 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.9 t -62.42 -20.16 64.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.967 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.475 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -83.62 -43.43 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.842 HD11 HG11 ' A' ' 63' ' ' VAL . 10.3 mp -62.08 -42.59 99.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -55.44 -25.55 36.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.25 -16.39 24.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 19' ' ' ARG . 86.1 mt -92.24 -43.79 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -62.42 -67.13 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 15.8 ptt180 -39.46 -33.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 29' ' ' ALA . 4.0 mm-40 -67.74 -74.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.493 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 4.1 m -47.34 -32.85 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -75.89 -38.88 57.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . -69.49 -6.64 31.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.78 HG12 HG21 ' A' ' 52' ' ' ILE . 2.6 pp -121.5 -2.14 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.553 ' HB2' HD11 ' A' ' 85' ' ' LEU . 3.5 tt0 -55.77 -48.72 95.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.06 -9.1 20.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.449 1.763 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -21.84 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 30' ' ' ILE . 1.3 m -100.08 -43.01 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.413 ' HA ' ' ND2' ' A' ' 92' ' ' ASN . 87.7 t -64.25 -35.15 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.83 11.87 67.7 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.84 164.38 17.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.63 87.75 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.37 -135.16 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' A' ' 94' ' ' SER . 5.6 mt -136.05 -176.3 4.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.046 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.57 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 60.0 t80 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.486 0.184 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -58.45 -60.81 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -41.34 -69.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.637 ' HA ' HD12 ' A' ' 52' ' ' ILE . 12.9 mt -41.01 -60.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -50.19 -48.16 54.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.421 ' O ' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -48.64 -53.61 17.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.277 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.78 HG21 HG12 ' A' ' 30' ' ' ILE . 4.0 mt -43.2 -67.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 82' ' ' THR . 2.7 mm? -47.98 -62.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.51 HG22 ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -44.17 -54.76 5.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.408 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.51 ' N ' HG22 ' A' ' 54' ' ' THR . 2.0 mptt -54.94 -66.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.0 mm-40 -46.3 -48.28 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.852 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -48.5 -50.07 33.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.428 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.3 t80 -54.99 -25.18 28.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.475 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -83.25 -31.44 26.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.5 mt -63.09 -44.62 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -67.53 -26.14 66.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.25 -37.73 71.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.842 HG11 HD11 ' A' ' 20' ' ' LEU . 57.2 t -50.05 125.63 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -89.56 111.46 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.6 p -81.16 -48.47 12.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.15 32.65 15.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.25 63.07 3.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -112.57 -11.82 13.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 73.88 -62.92 2.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' GLY . 69.8 m-20 -39.97 -52.46 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.753 HD11 ' CE1' ' A' ' 14' ' ' HIS . 56.2 mt -77.34 -54.19 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -41.69 -53.51 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -51.82 -42.21 62.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.91 -60.44 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -53.69 15.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -60.96 -27.05 67.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -35.35 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.49 -35.73 46.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.44 -15.82 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 84' ' ' ARG . 49.6 mt-30 -94.49 -51.29 4.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.89 -60.48 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.852 HG21 ' HB2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -44.93 -61.37 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -58.21 -30.11 66.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 80' ' ' GLN . 4.7 ttt-85 -61.55 -43.91 98.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 31' ' ' GLU . 5.8 mt -74.79 -50.36 17.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.449 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 1.3 mt -39.48 -30.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' A' ' 85' ' ' LEU . 2.5 mmtt -80.51 -52.2 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 3.7 mm-40 -52.65 -41.97 64.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.57 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 13.8 tp -48.73 -33.58 10.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -79.27 -64.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.44 -31.76 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 35' ' ' VAL . 21.4 m-80 -81.9 -40.57 22.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . -41.07 -79.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.556 ' HB3' HD23 ' A' ' 40' ' ' LEU . 4.6 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.8 t-80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.0 -14.68 21.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.438 1.757 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.432 ' HB2' HD13 ' A' ' 71' ' ' ILE . 56.5 m -89.17 -32.27 17.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.949 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.2 mm -72.16 -52.99 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.6 t -51.24 -41.05 60.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -63.41 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.5 mt -51.98 -32.51 33.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -73.71 -24.35 59.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -89.48 -19.92 24.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' A' ' 56' ' ' GLN . 3.6 mt -89.88 -35.07 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -64.4 -44.95 89.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -61.96 -25.7 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.323 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 30' ' ' ILE . 3.2 mm-40 -76.89 -68.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.724 HG11 ' OG1' ' A' ' 82' ' ' THR . 13.1 m -47.62 -36.32 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.79 -40.62 69.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.9 -16.53 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -112.68 2.43 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.922 ' O ' HG23 ' A' ' 35' ' ' VAL . 9.8 tt0 -63.16 -46.39 86.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -75.0 -8.22 19.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -33.27 59.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.632 HG22 ' CD1' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -93.39 -34.22 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 31' ' ' GLU . 46.7 t -65.02 -35.94 76.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.31 25.74 25.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -85.67 130.21 34.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.25 93.63 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.68 -148.75 5.28 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.706 HD23 ' OG ' ' A' ' 94' ' ' SER . 5.3 mt -126.28 133.52 51.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.8 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.488 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.577 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 2.7 t80 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.499 0.19 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -41.39 -59.22 1.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' LYS . 5.0 ttt180 -38.76 -52.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.533 HD13 HG12 ' A' ' 34' ' ' VAL . 8.5 mt -59.96 -64.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -42.92 -45.74 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.17 -52.79 64.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 49' ' ' LEU . 17.6 mt -51.43 -36.45 17.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.482 HD11 ' HB3' ' A' ' 85' ' ' LEU . 16.9 mt -77.19 -49.74 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -37.81 73.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -55.19 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.481 ' HB3' HG23 ' A' ' 23' ' ' ILE . 30.0 mm100 -65.78 -22.49 66.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.53 ' HA ' HG13 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -75.65 -63.39 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.96 -22.25 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 57' ' ' LEU . 5.2 mm-40 -77.62 -31.92 53.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.53 HG13 ' HA ' ' A' ' 57' ' ' LEU . 2.5 mt -61.14 -51.2 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.94 -25.91 67.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.09 -42.67 69.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.1 t -54.48 114.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.76 152.07 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.4 p -113.51 -25.44 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.433 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 43.45 32.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.83 57.32 9.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' GLY . 25.7 mttm -129.07 90.38 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' LYS . . . -36.42 -56.3 1.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -40.0 -49.18 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.432 HD13 ' HB2' ' A' ' 16' ' ' SER . 96.6 mt -78.98 -57.66 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.92 -54.35 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -52.42 -62.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -48.65 -53.75 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -69.38 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -52.49 -27.02 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' GLN . 7.1 mtt-85 -75.14 -30.11 60.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -82.26 -35.65 27.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -61.66 -28.4 69.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -78.85 -44.17 23.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.45 -47.52 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.724 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -59.12 -36.27 74.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 11.1 mm-40 -73.27 -44.94 58.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -59.75 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.632 ' CD1' HG22 ' A' ' 34' ' ' VAL . 3.3 mm? -50.23 -46.05 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.29 -31.55 33.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -81.9 -52.36 7.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -45.06 -38.7 5.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.577 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 27.8 tp -60.81 -63.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.21 -29.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 89' ' ' LEU . 22.1 tp60 -89.93 -57.93 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -49.79 -26.62 4.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.418 ' HB2' ' HE2' ' A' ' 46' ' ' TYR . . . -52.3 -78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.706 ' OG ' HD23 ' A' ' 40' ' ' LEU . 8.9 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.88 99.59 1.99 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -85.95 98.81 11.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.39 72.7 0.3 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -174.21 83.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.952 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -163.35 144.12 9.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.31 177.04 36.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.31 105.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 111.064 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.32 109.79 4.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.41 142.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.91 80.78 1.45 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 171.04 120.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -94.45 103.8 15.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.453 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 12.8 t-80 -43.44 141.33 2.03 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.158 . . . . 0.0 109.576 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.453 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.03 -5.63 17.02 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.59 ' HB2' HD13 ' A' ' 71' ' ' ILE . 50.1 m -99.06 -34.2 10.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.9 mm -68.57 -55.04 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.9 t -53.06 -43.26 66.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -56.35 -62.41 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' GLN . 32.5 mt -50.53 -36.57 34.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -71.41 -24.5 62.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.5 mt-10 -92.66 -15.59 26.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' A' ' 56' ' ' GLN . 2.7 mt -101.34 -30.26 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.469 ' O ' HG22 ' A' ' 27' ' ' VAL . 2.8 mt-30 -68.75 -52.78 26.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.504 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -54.89 -21.52 11.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -76.5 -57.71 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.496 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 17.6 m -60.37 -31.19 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.26 -41.45 34.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -70.25 -13.07 62.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.6 pp -115.19 -5.84 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 12.8 tt0 -52.35 -45.52 94.84 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.0 -31.95 5.78 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -57.46 -24.21 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.454 ' HB ' HD12 ' A' ' 85' ' ' LEU . 86.6 t -94.26 -49.85 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 31' ' ' GLU . 74.1 t -59.4 -33.74 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.19 19.01 55.77 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.448 ' CG ' ' N ' ' A' ' 38' ' ' SER . 41.8 t80 -73.51 168.83 18.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 0.772 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.448 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -165.28 83.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.01 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 93' ' ' ALA . . . -168.26 143.17 7.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 94' ' ' SER . 1.1 mm? -58.22 164.33 2.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 21.1 p -61.99 96.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 41' ' ' SER . 1.4 m-20 80.14 76.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.76 -59.4 1.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -175.39 -39.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -96.35 -17.01 20.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 46' ' ' TYR . 7.0 t80 -63.57 -29.3 70.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -64.42 -59.18 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -43.11 -62.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.762 ' HA ' HD12 ' A' ' 52' ' ' ILE . 14.3 mt -43.69 -66.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.486 ' HG3' HD21 ' A' ' 86' ' ' LEU . 2.5 tt0 -48.89 -53.4 19.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' O ' HG22 ' A' ' 54' ' ' THR . 0.9 OUTLIER -45.16 -48.98 12.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.762 HD12 ' HA ' ' A' ' 49' ' ' LEU . 19.1 mt -51.35 -64.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 30' ' ' ILE . 41.4 mt -51.42 -52.08 49.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -53.59 -38.72 64.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.432 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -52.52 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.481 ' HB3' HG23 ' A' ' 23' ' ' ILE . 25.7 mm100 -55.79 -47.31 77.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.252 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.3 tm? -55.08 -57.56 11.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.479 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -47.34 -28.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -78.52 -32.21 47.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 57' ' ' LEU . 47.6 mt -62.24 -49.08 85.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.52 -25.13 67.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.91 -24.77 55.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 t -71.04 115.01 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -78.5 151.5 32.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.1 p -110.23 -50.93 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.22 20.7 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.59 53.88 4.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 71' ' ' ILE . 32.4 mttm -126.64 92.23 3.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -37.14 -58.21 1.28 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' GLY . 6.3 m-20 -39.02 -44.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.59 HD13 ' HB2' ' A' ' 16' ' ' SER . 96.0 mt -84.77 -57.87 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.23 -49.39 2.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -61.29 2.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -49.12 -61.43 2.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -42.54 -69.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -50.89 -35.75 34.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -69.59 -23.83 63.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -93.3 -28.1 16.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.3 83.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -83.58 -39.83 19.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.52 -54.6 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.591 HG21 ' HB2' ' A' ' 57' ' ' LEU . 94.6 m -51.08 -61.05 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.368 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -49.65 -44.92 47.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -62.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.496 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 3.1 mm? -51.51 -52.13 49.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.486 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.8 OUTLIER -42.28 -50.89 4.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -56.22 -51.97 66.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 89' ' ' LEU . 3.8 mm-40 -46.19 -55.0 7.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' GLU . 31.6 tp -39.5 -64.65 0.45 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' LEU . 1.5 mt-10 -38.41 -41.97 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.259 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.96 -60.77 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -44.56 -35.0 2.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 39' ' ' GLY . . . -44.01 -75.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.491 ' HB2' HD22 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -179.54 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.997 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.56 159.78 40.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.91 41.88 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.559 1.821 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.7 t -58.11 -58.29 9.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.8 p -147.0 -53.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 m -159.5 149.98 19.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 t 60.81 85.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.89 92.11 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.565 1.166 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m -141.64 136.5 31.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.45 103.91 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.53 101.12 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.18 133.03 48.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -152.84 100.48 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.8 118.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.36 122.27 1.6 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -67.67 154.96 40.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' HIS . 1.7 tt0 -101.2 87.37 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.242 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.629 ' CE1' HD11 ' A' ' 71' ' ' ILE . 9.5 t-80 -39.61 143.94 0.52 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.528 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -75.02 -15.37 20.73 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.62 ' HB3' HG13 ' A' ' 63' ' ' VAL . 4.4 m -87.86 -41.53 13.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.1 mm -66.49 -49.18 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.3 t -54.49 -21.82 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.698 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -84.87 -59.01 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.0 HD11 HG11 ' A' ' 63' ' ' VAL . 11.0 mp -49.08 -49.51 41.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -46.32 -33.54 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -32.19 28.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.698 HD12 ' HG3' ' A' ' 19' ' ' ARG . 12.0 mt -74.0 -40.55 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -59.75 -60.78 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -48.03 -30.83 4.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' ALA . 4.7 mm-40 -71.76 -72.6 0.22 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.505 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 9.7 m -45.78 -29.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -79.64 -41.25 27.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' GLU . . . -69.34 -13.81 62.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.573 HG22 ' NE2' ' A' ' 33' ' ' GLN . 1.9 pp -113.3 -3.16 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.629 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 21.1 tt0 -55.88 -44.19 99.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.01 -27.85 9.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.573 ' NE2' HG22 ' A' ' 30' ' ' ILE . 22.7 mt-30 -62.41 -21.21 65.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.618 HG22 HD13 ' A' ' 89' ' ' LEU . 54.0 t -97.26 -47.59 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 31' ' ' GLU . 81.6 t -61.82 -38.1 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.34 26.62 23.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 38' ' ' SER . 37.6 t80 -77.47 173.78 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.409 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 52.9 p -174.76 79.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.45 -135.28 2.45 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.518 ' C ' ' HB1' ' A' ' 93' ' ' ALA . 8.6 mt -123.28 157.29 33.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 0.774 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.601 ' O ' ' CE2' ' A' ' 46' ' ' TYR . 5.0 p -42.64 -51.02 5.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -136.19 77.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.14 -177.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? 65.71 -110.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -113.8 -11.65 12.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 41' ' ' SER . 7.8 t80 -42.69 -55.08 3.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 46' ' ' TYR . 40.5 mmtt -39.07 -63.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -48.39 -57.63 5.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.9 ' HA ' HD12 ' A' ' 52' ' ' ILE . 10.7 mt -50.76 -64.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -45.45 -52.43 10.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' NH1' HG21 ' A' ' 54' ' ' THR . 0.0 OUTLIER -50.34 -49.59 53.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.9 HD12 ' HA ' ' A' ' 49' ' ' LEU . 12.5 mt -49.12 -57.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.7 mt -59.78 -52.65 64.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -49.87 -51.44 40.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.42 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.95 -62.26 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 11.0 mm100 -48.19 -47.35 35.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 58' ' ' PHE . 1.3 tm? -54.71 -56.67 16.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.48 ' N ' HD13 ' A' ' 57' ' ' LEU . 4.3 t80 -47.8 -27.6 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 63' ' ' VAL . 2.1 mm-40 -79.1 -31.38 44.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' LEU . 65.3 mt -62.69 -42.59 96.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -73.7 -24.84 59.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -28.23 58.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 1.0 HG11 HD11 ' A' ' 20' ' ' LEU . 37.3 t -72.7 116.42 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.27 137.87 31.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.726 HG21 ' HA ' ' A' ' 72' ' ' GLN . 28.1 p -93.49 -45.62 7.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.98 41.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.9 60.12 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -110.23 -27.37 9.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.99 -61.87 2.23 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.567 1.167 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -41.12 -57.91 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.678 HG22 HG22 ' A' ' 65' ' ' THR . 12.2 mt -72.2 -54.41 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.726 ' HA ' HG21 ' A' ' 65' ' ' THR . 0.0 OUTLIER -39.88 -44.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -66.96 -57.0 7.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -55.38 -68.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.435 ' HG2' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -38.33 -64.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.24 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -40.26 -59.33 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -54.47 -48.99 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.43 -51.8 61.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.03 -39.47 55.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -74.99 -44.51 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -51.99 67.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 57' ' ' LEU . 99.5 m -54.01 -55.66 25.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.403 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -54.75 -55.11 33.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.95 -53.79 1.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 2.8 mm? -57.89 -53.66 55.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.57 -47.02 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -54.61 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -40.8 -45.11 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.618 HD13 HG22 ' A' ' 34' ' ' VAL . 7.6 tp -47.85 -56.07 8.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 19.6 mt-10 -42.11 -58.76 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -65.55 -60.87 2.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -40.38 -42.39 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.541 ' HB1' ' N ' ' A' ' 41' ' ' SER . . . -39.85 -78.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 95' ' ' GLY . 1.4 t -179.47 -39.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 94' ' ' SER . . . 42.75 -166.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.85 32.98 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.779 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.73 135.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.4 p -164.9 88.17 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p 46.79 92.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 110.028 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.02 123.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.939 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.98 70.27 1.23 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.5 135.25 9.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 p -179.84 143.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.54 83.11 1.07 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.66 161.5 34.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -174.25 150.84 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.36 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.35 60.64 6.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -179.94 111.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 14' ' ' HIS . 7.6 pt20 -173.85 45.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.541 ' CE1' HD11 ' A' ' 71' ' ' ILE . 8.3 t-80 61.44 139.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.579 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -26.97 10.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.3 m -78.07 -43.04 30.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.408 ' HB ' ' O ' ' A' ' 13' ' ' GLN . 17.2 mm -65.14 -51.54 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.2 t -58.81 -20.14 47.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -82.7 -52.86 6.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.335 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.478 HD11 ' CA ' ' A' ' 75' ' ' ARG . 5.9 mt -58.23 -40.29 81.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -56.31 -33.99 66.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -78.16 -38.38 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.263 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.509 ' O ' HG13 ' A' ' 27' ' ' VAL . 3.7 mt -68.08 -41.28 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.72 -65.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -48.15 -25.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 5.0 mm-40 -73.75 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 23' ' ' ILE . 9.7 m -59.19 -38.8 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -34.48 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.77 -2.34 23.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.69 HD11 HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -111.02 -14.22 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.609 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 19.6 tt0 -53.85 -44.68 98.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.97 -27.85 9.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.81 ' HB3' HD21 ' A' ' 49' ' ' LEU . 14.4 mt-30 -67.57 -20.36 65.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.698 HG23 HD23 ' A' ' 49' ' ' LEU . 42.8 t -93.91 -44.08 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 31' ' ' GLU . 88.8 t -65.4 -40.51 88.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.52 23.36 36.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CD2' HD12 ' A' ' 89' ' ' LEU . 11.3 t80 -74.11 152.9 39.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.13 85.75 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 93' ' ' ALA . . . 176.32 150.93 8.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 mt -52.36 175.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.454 ' HA ' ' CE2' ' A' ' 46' ' ' TYR . 1.6 p -65.24 -17.21 64.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -137.76 77.23 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -120.91 178.81 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -79.49 68.05 5.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 171.99 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.454 ' CE2' ' HA ' ' A' ' 41' ' ' SER . 13.4 t80 -42.38 -44.04 3.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -46.21 -62.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -38.88 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.81 HD21 ' HB3' ' A' ' 33' ' ' GLN . 7.8 mp -39.31 -64.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -45.34 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' O ' HG22 ' A' ' 54' ' ' THR . 23.4 mmt180 -44.4 -47.13 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.0 mt -55.25 -47.56 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.84 HD13 ' HG ' ' A' ' 86' ' ' LEU . 16.2 mt -65.88 -44.48 85.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -63.28 -34.45 77.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 51' ' ' ARG . 3.7 mptt -74.72 -54.74 6.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -59.92 -44.31 94.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.717 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.3 tm? -54.23 -56.77 15.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.522 ' N ' HD13 ' A' ' 57' ' ' LEU . 10.1 t80 -47.94 -27.55 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -79.14 -30.88 43.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' LEU . 58.2 mt -63.11 -43.99 99.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.22 -23.44 62.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -77.31 -31.53 54.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.4 t -64.01 111.17 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -74.88 150.36 39.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.3 p -115.55 -38.02 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.391 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.0 42.1 13.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.9 65.98 0.84 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -113.16 -36.45 5.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 0.796 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.47 -61.78 0.74 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -40.38 -49.83 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.756 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.541 HD11 ' CE1' ' A' ' 14' ' ' HIS . 37.8 mt -81.07 -54.06 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -40.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -50.42 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 77' ' ' ARG . . . -65.31 -64.2 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.478 ' CA ' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -37.94 -64.72 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -53.35 -40.6 65.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -66.23 -18.44 65.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.43 ' O ' HD13 ' A' ' 60' ' ' ILE . . . -98.47 -17.96 18.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.35 -32.25 60.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -87.59 -33.14 18.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.61 -52.13 66.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.717 HG21 ' HB2' ' A' ' 57' ' ' LEU . 1.1 m -59.84 -50.63 73.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.17 -47.32 86.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 84' ' ' ARG . 0.5 OUTLIER -47.15 -49.51 22.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.455 HD11 ' HG3' ' A' ' 31' ' ' GLU . 4.0 mm? -65.7 -43.52 88.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.84 ' HG ' HD13 ' A' ' 53' ' ' LEU . 4.2 mt -51.01 -43.99 60.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -58.17 -59.54 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -47.47 -49.83 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.597 HD12 ' CD2' ' A' ' 37' ' ' PHE . 48.6 tp -40.51 -71.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.573 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 39.7 mt-10 -39.78 -40.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.74 -64.79 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -50.95 -24.7 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -41.09 -72.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 t -179.3 -37.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.36 157.91 26.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -47.57 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.55 1.816 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.0 m 55.35 79.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.07 112.07 24.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.035 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.452 ' O ' ' CB ' ' A' ' 3' ' ' SER . 4.1 t -175.31 141.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.3 OUTLIER 81.48 157.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.943 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.33 129.09 6.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.4 -59.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 59.62 98.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.998 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.95 -93.09 0.53 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -39.68 143.23 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 0.753 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -98.76 158.53 15.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.79 104.27 8.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.99 -132.07 1.33 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -64.21 104.33 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 0.802 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -83.85 101.79 11.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.463 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 16.4 t-80 -43.43 141.35 2.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.573 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.03 -3.27 13.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.64 ' HB2' HD13 ' A' ' 71' ' ' ILE . 21.1 m -102.43 -29.88 11.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.046 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' CD1' HG12 ' A' ' 71' ' ' ILE . 20.1 mm -74.66 -46.2 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.5 t -62.25 -40.6 96.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.26 -59.29 5.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.3 mt -52.96 -37.12 60.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -64.84 -20.54 66.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.58 -10.08 22.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.451 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 5.3 mt -99.47 -35.52 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.407 ' O ' HG22 ' A' ' 27' ' ' VAL . 60.4 mt-30 -67.98 -49.79 59.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -56.84 -22.75 38.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 30' ' ' ILE . 3.5 mm-40 -74.49 -56.87 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.914 HG11 ' OG1' ' A' ' 82' ' ' THR . 19.1 m -62.81 -30.56 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -75.97 -41.11 52.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.92 -13.71 62.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.506 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.1 pp -116.15 -1.5 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.9 tt0 -57.48 -47.12 99.54 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.01 -13.4 21.39 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -28.38 63.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.51 HG22 ' CD2' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -95.75 -41.48 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 31' ' ' GLU . 63.0 t -62.56 -34.14 63.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.14 22.43 39.29 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CG ' ' N ' ' A' ' 38' ' ' SER . 59.6 t80 -79.01 171.79 14.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.515 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -168.31 92.77 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.5 -135.16 1.77 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -139.6 149.15 43.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.463 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 2.3 p -57.17 106.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 41' ' ' SER . 3.8 m-20 80.96 88.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -153.42 -174.0 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -80.08 58.64 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 176.26 -50.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.573 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 6.0 t80 -61.87 -40.22 94.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -51.82 -50.86 60.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.678 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -50.69 -60.0 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.615 ' HB2' HD21 ' A' ' 89' ' ' LEU . 75.6 mt -47.63 -63.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.455 ' OE1' ' CD2' ' A' ' 86' ' ' LEU . 3.0 tt0 -47.73 -43.85 27.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.07 -58.37 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.678 HD12 ' O ' ' A' ' 48' ' ' ARG . 2.7 mp -48.14 -41.9 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.83 -56.68 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.356 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -42.06 64.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -62.99 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 25.3 mm100 -46.32 -45.21 17.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.561 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -54.52 -56.81 15.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.502 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -47.91 -27.59 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.941 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -79.07 -31.1 44.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 57' ' ' LEU . 68.0 mt -62.18 -41.63 92.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -72.12 -25.26 61.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -16.12 61.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.066 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.9 t -78.78 116.86 23.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -78.76 160.78 27.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.1 p -122.14 -52.65 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.62 26.34 5.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.56 56.24 4.69 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' ILE . 26.8 mttm -130.28 91.64 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -40.22 -58.41 2.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' GLY . 80.0 m-20 -38.48 -35.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.64 HD13 ' HB2' ' A' ' 16' ' ' SER . 72.7 mt -94.12 -56.85 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.85 -43.16 6.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -62.26 -60.52 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -50.04 -58.11 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -63.55 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -57.16 -21.63 34.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -83.96 -24.92 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -90.15 -28.18 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.73 -14.44 62.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -99.1 -45.13 6.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -55.35 27.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.914 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.3 m -54.71 -54.4 42.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -58.97 -24.94 63.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -49.69 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.522 HD11 ' HB2' ' A' ' 31' ' ' GLU . 3.0 mt -59.49 -47.11 86.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.455 ' CD2' ' OE1' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -45.75 -27.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.35 -43.69 15.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 85' ' ' LEU . 6.1 mm-40 -60.65 -41.24 94.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 49' ' ' LEU . 8.4 tp -59.05 -51.53 69.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.29 -35.62 60.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 110.332 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -59.67 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -52.54 -33.22 44.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -45.09 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.65 -54.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -130.15 156.51 21.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -178.79 4.42 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.95 150.8 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.89 91.52 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 111.029 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -122.32 88.58 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.94 112.33 9.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.18 92.56 0.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 p -162.53 135.47 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m 60.97 155.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.75 85.5 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.551 1.157 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 38.85 90.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.773 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -148.61 156.61 42.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.0 99.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.12 -122.11 7.38 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.76 137.47 16.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 68.52 92.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.505 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.1 t-80 -45.7 142.99 3.29 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.599 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.505 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.03 -16.44 20.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.463 ' HB3' HD13 ' A' ' 71' ' ' ILE . 5.3 t -90.78 -17.54 26.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.3 mm -92.46 -55.5 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 t -52.34 -22.14 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -79.26 -46.29 18.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -62.33 -44.13 97.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -51.63 -34.6 38.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -30.41 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.459 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 2.6 mt -79.26 -37.21 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -65.29 -57.39 8.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 10.0 ptp180 -49.63 -27.89 5.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -72.64 -70.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.503 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 6.3 m -50.54 -31.14 8.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -36.11 60.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . -72.43 -5.22 35.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.653 HD11 HD21 ' A' ' 53' ' ' LEU . 2.8 pp -123.9 5.51 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.726 ' HG3' HD21 ' A' ' 85' ' ' LEU . 26.2 tt0 -68.99 -42.87 24.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.0 -0.7 10.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.554 HE21 HG22 ' A' ' 30' ' ' ILE . 14.7 mt-30 -88.59 -53.48 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.775 HG23 ' HA ' ' A' ' 89' ' ' LEU . 1.2 p -62.7 -39.52 85.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 31' ' ' GLU . 85.3 t -58.14 -46.47 88.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.16 34.23 5.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.578 ' CD1' HD12 ' A' ' 49' ' ' LEU . 15.4 t80 -87.0 158.78 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.04 102.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -171.76 41.39 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt 50.42 -178.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 70.8 p -104.57 118.0 35.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 41' ' ' SER . 2.6 m-20 81.21 35.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.355 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 6.0 t0 -109.32 177.79 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -72.04 70.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t30 170.79 -48.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -58.91 -42.83 90.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -47.84 -65.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -67.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.805 ' HA ' HD12 ' A' ' 52' ' ' ILE . 74.8 mt -43.61 -65.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.442 ' HG3' HD21 ' A' ' 86' ' ' LEU . 3.0 tt0 -45.1 -51.7 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -56.55 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.805 HD12 ' HA ' ' A' ' 49' ' ' LEU . 11.5 mt -41.21 -43.82 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.653 HD21 HD11 ' A' ' 30' ' ' ILE . 69.9 mt -71.09 -54.52 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -50.91 -40.5 57.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.09 . . . . 0.0 110.359 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -67.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 28.6 mm100 -44.84 -45.59 10.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD13 ' N ' ' A' ' 58' ' ' PHE . 1.1 tm? -53.87 -57.25 11.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.558 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -47.78 -27.65 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.49 -31.6 42.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.6 mt -63.24 -50.07 80.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -61.0 -25.21 66.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.05 -47.11 30.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -45.48 115.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -71.6 164.15 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.5 p -129.55 -54.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.432 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.1 33.68 2.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.6 63.92 2.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -110.66 -29.53 7.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.746 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.2 -64.4 2.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.148 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -39.82 -42.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 0.739 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.463 HD13 ' HB3' ' A' ' 16' ' ' SER . 15.7 mt -89.67 -51.05 12.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.67 -30.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -54.24 7.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -59.41 -57.16 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HG2' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -48.59 -62.51 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -56.1 -26.28 49.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -79.7 -24.99 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -91.15 -27.68 18.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.96 -18.51 63.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -96.97 -43.08 7.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -60.13 3.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.442 HG21 ' HB2' ' A' ' 57' ' ' LEU . 3.1 m -48.23 -58.7 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.369 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -56.62 -29.25 61.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -42.56 99.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.752 HD22 ' CG1' ' A' ' 34' ' ' VAL . 8.2 mt -75.09 -51.4 13.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.442 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -40.04 -32.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 85' ' ' LEU . 8.4 mmtm -69.13 -55.71 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 85' ' ' LEU . 2.0 mm-40 -55.64 -28.77 57.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.775 ' HA ' HG23 ' A' ' 34' ' ' VAL . 5.1 tp -54.26 -58.63 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.739 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -48.88 -54.84 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -66.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 88' ' ' GLU . 19.0 m-80 -40.95 -37.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -40.25 -73.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t -177.98 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 57.1 158.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 88.01 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 45.64 85.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.5 p -55.84 -56.98 14.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 p -175.61 144.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.79 133.85 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.61 -117.4 2.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 59.87 106.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.86 91.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.951 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.38 167.28 20.69 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.9 163.24 34.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -63.29 116.94 5.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.81 101.39 6.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.38 -87.22 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.28 126.69 31.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.94 87.0 2.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.487 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.5 t-80 -40.93 142.28 0.85 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.556 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.487 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.97 -5.07 16.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.529 ' HB2' HD13 ' A' ' 71' ' ' ILE . 41.3 m -96.12 -29.29 14.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.966 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.515 HD11 HG12 ' A' ' 71' ' ' ILE . 24.2 mm -76.25 -48.78 26.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.0 t -58.32 -19.04 31.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.404 ' HG3' HD12 ' A' ' 23' ' ' ILE . 5.7 tpp180 -81.78 -58.35 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.09 -33.66 53.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -63.45 -28.74 70.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.56 -12.77 38.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.566 HG23 ' OE1' ' A' ' 56' ' ' GLN . 67.9 mt -98.24 -40.57 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -62.69 -46.35 88.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -23.97 64.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -77.19 -64.33 1.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.621 HG11 ' OG1' ' A' ' 82' ' ' THR . 13.0 m -54.76 -28.42 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -39.99 38.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.39 -10.56 58.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.673 HD11 HD21 ' A' ' 53' ' ' LEU . 2.5 pp -117.92 7.87 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.7 ' HG3' HD21 ' A' ' 85' ' ' LEU . 28.2 tt0 -70.08 -42.88 18.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.02 0.62 8.7 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -88.59 -55.57 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.8 ' CG1' HD22 ' A' ' 85' ' ' LEU . 1.1 p -64.46 -39.16 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 31' ' ' GLU . 79.6 t -63.56 -39.78 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.51 28.61 12.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 9.0 t80 -84.32 146.49 27.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 111.055 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.404 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -143.54 113.04 6.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.08 -127.07 1.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.561 ' C ' ' HB1' ' A' ' 93' ' ' ALA . 6.8 mt -133.38 -174.55 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.429 ' O ' ' CE1' ' A' ' 46' ' ' TYR . 50.2 p -86.85 7.21 28.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 55.3 t0 -171.06 70.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.5 OUTLIER 159.64 179.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.42 -75.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -171.73 46.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.429 ' CE1' ' O ' ' A' ' 41' ' ' SER . 44.0 t80 -97.43 -45.39 6.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -50.05 -53.04 29.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -68.02 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.566 ' HA ' HD12 ' A' ' 52' ' ' ILE . 17.1 mt -42.44 -54.82 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.679 ' HG3' HD21 ' A' ' 86' ' ' LEU . 24.4 tt0 -55.83 -51.71 66.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 16.6 mmt85 -52.02 -39.66 59.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.356 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 49' ' ' LEU . 46.0 mt -63.19 -53.58 44.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.673 HD21 HD11 ' A' ' 30' ' ' ILE . 75.5 mt -61.58 -51.91 66.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.28 -46.67 85.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -63.07 -45.97 89.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.566 ' OE1' HG23 ' A' ' 23' ' ' ILE . 9.2 mm-40 -61.29 -51.53 68.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.1 tm? -51.76 -52.91 45.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.447 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -51.7 -26.47 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' HG3' ' CE ' ' A' ' 55' ' ' LYS . 1.3 mm-40 -81.12 -31.64 34.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.4 mt -61.8 -44.34 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -65.09 -25.53 67.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.36 -36.21 68.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.0 t -58.95 117.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.69 148.64 33.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.9 p -106.96 -48.88 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.449 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.08 27.4 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.38 56.9 10.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' ILE . 3.5 mttm -131.33 93.87 3.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.757 . . . . 0.0 109.265 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -37.81 -57.92 1.54 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' GLY . 12.8 m-20 -36.79 -40.9 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.529 HD13 ' HB2' ' A' ' 16' ' ' SER . 83.0 mt -89.34 -59.94 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -40.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 4.6 mt-30 -65.09 -56.99 9.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.06 -52.23 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -69.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -51.06 -31.83 19.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -68.17 -35.61 78.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.11 -39.54 23.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -55.59 -27.64 50.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 84' ' ' ARG . 44.9 mt-30 -89.56 -46.75 8.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.02 -62.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.244 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.621 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.4 m -51.26 -40.84 59.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 9.2 mm-40 -73.7 -21.9 60.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -71.47 -46.75 59.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.8 HD22 ' CG1' ' A' ' 34' ' ' VAL . 6.0 mt -66.71 -50.47 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.679 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -43.83 -38.42 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -60.08 -46.45 89.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 1.1 mm-40 -63.72 -41.13 98.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.252 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.65 ' HA ' HG23 ' A' ' 34' ' ' VAL . 6.9 tp -45.43 -36.88 4.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -68.77 -48.12 64.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.6 -62.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -42.06 -39.78 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.561 ' HB1' ' C ' ' A' ' 40' ' ' LEU . . . -40.38 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.96 -53.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -153.64 153.15 24.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 56.99 4.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.544 1.813 . . . . 0.0 110.965 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.65 116.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 95.8 p -107.2 160.82 15.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 t -40.84 140.91 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 0.794 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.33 167.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.97 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.12 -84.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 p -171.41 -58.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 0.77 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.46 108.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.25 78.16 1.76 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 ttt -148.7 139.06 22.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -111.76 157.94 19.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.17 163.49 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 74.84 113.72 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.49 1.118 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 m120 48.57 94.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' HIS . 1.2 tt0 -71.55 92.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.555 ' CE1' HD11 ' A' ' 71' ' ' ILE . 18.0 t-80 -40.12 141.15 0.84 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.604 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.05 -13.37 21.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.509 ' HB3' HG13 ' A' ' 63' ' ' VAL . 19.5 m -93.97 -23.79 17.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.4 mm -85.2 -40.01 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -59.5 -24.35 63.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 110.068 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.574 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -77.81 -49.64 13.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.545 ' HG ' HG21 ' A' ' 63' ' ' VAL . 7.0 mt -55.71 -40.46 72.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -58.1 -28.14 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.94 -21.62 27.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.574 HD12 ' HG3' ' A' ' 19' ' ' ARG . 8.9 mt -87.54 -37.46 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -64.15 -55.25 23.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 10.1 ptm180 -52.11 -23.64 5.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.76 -67.38 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.487 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 9.1 m -53.69 -30.11 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -77.57 -40.96 40.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . -68.36 -9.92 51.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.594 HD11 ' CD2' ' A' ' 53' ' ' LEU . 2.6 pp -118.97 3.97 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.756 ' HG3' HD21 ' A' ' 85' ' ' LEU . 21.3 tt0 -64.19 -43.28 73.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.0 0.79 8.48 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' HD13 ' A' ' 49' ' ' LEU . 12.3 mt-30 -94.52 -9.64 34.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.789 HG13 HD22 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -118.93 -38.89 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 31' ' ' GLU . 63.1 t -58.53 -54.09 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.73 38.96 2.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 38' ' ' SER . 66.1 t80 -86.96 162.31 17.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.417 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -152.68 123.75 7.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 156.82 -149.75 20.66 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 mt -109.64 179.07 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.572 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 5.6 m -95.58 35.33 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.5 t0 177.83 56.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.1 -175.8 2.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 56.99 2.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -177.63 -59.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 41' ' ' SER . 63.5 t80 -41.02 -53.36 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.4 -64.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.405 ' O ' HD12 ' A' ' 52' ' ' ILE . 9.6 ttp180 -44.92 -53.95 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.594 HD12 HD11 ' A' ' 89' ' ' LEU . 19.9 mt -44.96 -53.0 8.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.652 ' HG3' HD21 ' A' ' 86' ' ' LEU . 5.2 tt0 -67.78 -52.09 41.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -43.93 -42.45 5.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 48' ' ' ARG . 8.4 mt -62.88 -58.71 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.594 ' CD2' HD11 ' A' ' 30' ' ' ILE . 98.3 mt -53.44 -58.15 8.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.72 -43.44 65.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 36.4 tptt -64.28 -64.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 30.2 mm100 -46.13 -43.51 15.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.515 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.1 tm? -52.16 -56.66 13.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.508 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -48.03 -28.25 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 3.7 mm-40 -78.94 -30.46 44.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.457 HG23 HD21 ' A' ' 20' ' ' LEU . 63.7 mt -62.99 -44.25 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -68.79 -30.73 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -39.16 83.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.545 HG21 ' HG ' ' A' ' 20' ' ' LEU . 8.3 t -54.65 111.26 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -66.03 127.87 33.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.582 HG22 HG22 ' A' ' 71' ' ' ILE . 58.3 p -97.3 -47.82 5.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.37 41.01 20.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.7 49.24 2.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -91.53 -46.19 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 71' ' ' ILE . . . 114.26 -62.25 0.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -43.29 -28.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.582 HG22 HG22 ' A' ' 65' ' ' THR . 26.0 mt -100.74 -51.09 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -24.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -53.13 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.252 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -67.1 -57.87 5.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -37.69 -71.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 77' ' ' ARG . 14.3 pttp -49.06 -50.69 35.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 76' ' ' LYS . 15.2 mmt180 -50.4 -43.52 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -72.37 -48.04 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.42 -41.68 52.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -70.57 -46.26 63.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.69 -50.49 63.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.515 HG21 ' HB2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -62.64 -55.71 24.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.393 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -53.77 -28.89 37.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -62.42 -54.55 38.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.789 HD22 HG13 ' A' ' 34' ' ' VAL . 4.2 mt -61.71 -40.43 94.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.652 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -52.63 -22.03 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.91 -39.8 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.59 -45.3 93.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.763 HD13 ' HB ' ' A' ' 34' ' ' VAL . 11.5 tp -42.07 -61.99 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 9.9 mt-10 -43.54 -63.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -53.1 -60.69 2.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -42.7 -51.78 5.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -41.03 -82.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -168.99 -58.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -71.63 153.24 50.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.143 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.32 7.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.6 t -85.57 -63.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.6 m 59.16 92.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 46.88 94.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 0.726 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -166.91 152.94 8.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.23 110.05 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.8 142.98 42.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 0.783 . . . . 0.0 109.989 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -163.42 160.59 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.142 . . . . 0.0 109.979 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.04 -174.98 39.41 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 mtp -162.65 -58.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -129.4 163.22 26.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -154.95 100.98 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.29 -70.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -119.86 123.44 43.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -90.66 95.41 10.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 13.9 t-80 -39.91 142.74 0.65 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.64 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.0 -1.83 11.74 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.1 m -101.06 -39.64 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mm -62.68 -53.48 46.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.0 t -52.85 -43.66 66.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -57.73 11.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.9 mt -53.01 -39.47 63.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -67.29 -32.47 73.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.01 -23.46 41.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.451 ' HA ' ' NE2' ' A' ' 56' ' ' GLN . 1.8 mt -90.52 -39.53 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.414 ' O ' HG22 ' A' ' 27' ' ' VAL . 6.1 mt-30 -61.42 -50.5 72.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -55.86 -31.96 63.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -66.88 -60.47 2.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.489 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 11.3 m -59.78 -28.84 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -77.23 -40.12 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.64 -11.07 59.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.6 pp -117.81 4.6 7.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.78 ' O ' HG23 ' A' ' 35' ' ' VAL . 21.0 tt0 -64.94 -42.22 60.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.0 -0.35 9.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.666 ' C ' HD21 ' A' ' 49' ' ' LEU . 9.4 mt-30 -94.02 -10.39 33.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.72 ' HB ' HD13 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -114.16 -32.65 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 31' ' ' GLU . 63.8 t -61.61 -43.32 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.62 31.93 7.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.424 ' HE2' ' HB2' ' A' ' 93' ' ' ALA . 27.2 t80 -85.65 152.8 22.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.59 117.98 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.05 144.9 4.07 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD23 ' OG ' ' A' ' 94' ' ' SER . 9.1 mt -44.71 165.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.57 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 78.2 p -79.81 53.98 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 173.54 51.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -121.03 173.55 7.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -72.38 66.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 t30 174.78 -48.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.57 ' CD2' ' HA ' ' A' ' 41' ' ' SER . 52.2 t80 -60.62 -49.3 78.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -44.92 -67.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -40.25 -67.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.666 HD21 ' C ' ' A' ' 33' ' ' GLN . 2.9 mp -40.03 -66.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.54 -53.78 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.459 ' O ' HG22 ' A' ' 54' ' ' THR . 0.5 OUTLIER -51.46 -55.86 16.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.5 mt -48.78 -57.72 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.467 HD22 HG23 ' A' ' 82' ' ' THR . 35.6 mt -54.27 -58.46 7.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -51.31 -34.33 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.374 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -74.14 -55.01 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 19.5 mm100 -53.97 -47.14 71.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.579 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -55.03 -57.68 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.523 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.9 t80 -47.53 -27.14 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.77 -32.62 40.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 57' ' ' LEU . 22.0 mt -62.33 -51.25 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -60.05 -24.84 64.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.52 -30.27 57.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.61 114.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -74.81 151.99 39.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.3 p -110.56 -36.88 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 59.75 25.09 14.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.88 56.7 10.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -129.46 100.85 5.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -38.38 -56.8 1.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' GLY . 21.8 m-20 -38.7 -55.59 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.421 HD11 ' CE1' ' A' ' 14' ' ' HIS . 78.3 mt -73.57 -58.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -37.52 -54.11 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.415 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.34 -59.48 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -50.56 -61.7 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -44.88 -69.66 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -48.83 -40.41 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -64.94 -28.65 69.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.329 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -86.77 -36.75 18.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.92 -18.55 45.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' ARG . 94.4 mt-30 -99.86 -49.57 4.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.84 -52.69 10.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.579 HG21 ' HB2' ' A' ' 57' ' ' LEU . 2.8 m -58.13 -60.57 3.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -58.01 -16.31 12.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -74.2 -46.52 41.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.714 HD22 ' CG1' ' A' ' 34' ' ' VAL . 5.2 mt -70.09 -43.72 70.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.409 ' HG ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -40.08 -38.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -62.25 -68.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -39.47 -41.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 110.293 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.72 HD13 ' HB ' ' A' ' 34' ' ' VAL . 10.2 tp -49.7 -47.98 50.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.717 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 2.6 tt0 -71.28 -54.74 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.14 -56.26 6.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' ALA . 4.8 m-20 -58.77 -40.69 84.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -40.2 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.467 ' OG ' HD23 ' A' ' 40' ' ' LEU . 21.5 p -177.46 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 57.76 157.27 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -47.16 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 p -158.07 132.34 8.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.6 p -98.66 164.53 12.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -163.41 -58.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.984 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.7 m 62.21 164.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.44 -127.21 1.5 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m 61.97 117.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 0.735 . . . . 0.0 109.976 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.18 158.34 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.65 106.15 2.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.21 141.78 51.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -140.99 163.64 32.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.29 117.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.14 -107.65 0.44 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -137.63 152.03 48.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 14' ' ' HIS . 12.8 tt0 -136.05 48.85 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.64 ' CE1' HD11 ' A' ' 71' ' ' ILE . 10.9 t-80 61.07 141.73 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.627 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.06 -18.38 18.65 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.447 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 54.5 m -90.76 -42.6 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.4 mm -72.06 -47.31 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -59.04 -28.36 66.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 4.0 tpp180 -63.02 -59.67 4.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.604 HD12 ' NH2' ' A' ' 75' ' ' ARG . 12.5 mt -48.5 -38.04 19.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.416 ' NE2' HE22 ' A' ' 13' ' ' GLN . 20.2 mt-30 -63.82 -29.56 70.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' ARG . 8.0 tt0 -86.88 -12.97 46.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLU . 2.2 mt -99.4 -54.87 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -45.78 -41.01 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.23 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -64.18 -32.83 74.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' ILE . 3.4 mm-40 -71.73 -62.36 1.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.489 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 15.7 m -53.49 -32.29 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -76.94 -40.29 47.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.22 -11.1 60.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.3 pp -118.68 -1.21 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.668 ' O ' HG23 ' A' ' 35' ' ' VAL . 7.2 tt0 -59.37 -46.67 98.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.05 -10.3 21.07 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.439 1.757 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -79.97 -15.99 56.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.691 ' CG2' HD12 ' A' ' 85' ' ' LEU . 1.5 m -109.43 -34.99 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 31' ' ' GLU . 81.7 t -62.47 -45.37 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.2 31.97 8.09 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 38' ' ' SER . 9.2 t80 -84.53 154.03 22.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.475 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 36.9 m -146.67 107.79 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.422 ' O ' ' CZ ' ' A' ' 37' ' ' PHE . . . 157.02 139.32 2.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mt -50.52 177.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' ASP . 32.8 p -94.52 177.03 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 41' ' ' SER . 5.3 m-20 38.99 52.21 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -133.26 165.26 25.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -68.3 68.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' ASP . 8.7 m-20 172.97 -45.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.53 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 28.8 t80 -72.18 -23.28 61.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -65.62 -47.42 75.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -54.57 -49.35 70.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.4 mt -60.64 -64.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -49.46 -54.86 15.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -44.37 -51.42 8.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.423 HD12 ' O ' ' A' ' 48' ' ' ARG . 19.0 mt -50.38 -62.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' CD2' HD11 ' A' ' 30' ' ' ILE . 58.7 mt -53.89 -56.26 19.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -48.11 -49.36 32.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.451 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' N ' HG22 ' A' ' 54' ' ' THR . 0.3 OUTLIER -61.59 -57.83 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -51.2 -50.57 58.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.643 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -53.55 -60.95 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.529 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.8 t80 -46.67 -30.51 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.22 -31.34 62.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.522 HG23 ' HG3' ' A' ' 75' ' ' ARG . 39.7 mt -62.19 -49.29 84.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -69.93 -35.36 74.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.6 -58.98 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 19' ' ' ARG . 18.5 t -40.76 115.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -59.6 165.81 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.537 HG22 HG22 ' A' ' 71' ' ' ILE . 45.5 p -136.67 -48.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.93 43.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.12 64.19 0.83 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -110.42 -21.05 12.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 80.21 -67.48 3.46 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.428 1.08 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' GLY . 28.4 m-20 -39.14 -36.19 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.64 HD11 ' CE1' ' A' ' 14' ' ' HIS . 94.9 mt -92.7 -53.17 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.64 -48.2 28.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.255 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -52.77 59.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.96 -55.85 17.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.604 ' NH2' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -49.32 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.295 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 75' ' ' ARG . 17.4 ptmt -39.69 -38.44 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -47.98 63.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.275 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.535 ' CB ' HD22 ' A' ' 20' ' ' LEU . . . -66.25 -47.84 72.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.04 -53.74 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -54.03 -49.22 69.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.34 -61.77 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.643 HG21 ' HB2' ' A' ' 57' ' ' LEU . 47.1 m -44.84 -61.01 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.69 -50.1 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.22 -52.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.691 HD12 ' CG2' ' A' ' 34' ' ' VAL . 1.4 mm? -63.89 -55.1 25.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.32 -49.02 2.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -61.02 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 92' ' ' ASN . 3.0 mm-40 -46.99 -53.0 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.53 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 46.8 tp -41.17 -60.54 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.766 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 8.0 mt-10 -42.83 -59.56 1.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.431 ' C ' ' N ' ' A' ' 93' ' ' ALA . 1.7 mm-40 -60.48 -64.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.268 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' GLU . 4.3 m-80 -39.98 -31.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.766 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -51.68 -72.43 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t 179.82 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.82 174.66 36.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 163.38 35.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.7 t -138.13 156.51 47.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.943 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 m -145.4 -57.91 0.33 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.512 1.132 . . . . 0.0 109.98 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.89 166.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 109.995 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 m -45.13 129.73 7.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.77 -101.39 1.8 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.155 . . . . 0.0 111.045 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t 45.35 90.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 109.992 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.61 140.14 1.31 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.173 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.08 155.67 6.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.44 152.19 18.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -64.53 -55.05 23.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.84 127.91 38.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 166.89 -152.59 21.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -74.07 120.02 19.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.44 94.23 9.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.509 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 11.2 t-80 -43.76 143.08 1.75 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.579 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.99 -18.93 18.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.425 ' HB2' HD13 ' A' ' 71' ' ' ILE . 8.5 m -87.21 -32.53 19.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.6 mm -75.5 -51.03 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.7 t -56.65 -18.36 11.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.627 ' HG3' HD12 ' A' ' 23' ' ' ILE . 2.9 tpp180 -84.45 -59.38 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 110.357 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mt -49.41 -43.74 44.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -52.62 -30.62 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.59 -29.71 25.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.627 HD12 ' HG3' ' A' ' 19' ' ' ARG . 7.6 mt -77.44 -35.24 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.409 ' O ' HG22 ' A' ' 27' ' ' VAL . 2.7 mm-40 -67.92 -63.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 8.6 ptm180 -45.42 -25.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.05 -67.03 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.667 HG11 ' OG1' ' A' ' 82' ' ' THR . 14.6 m -51.86 -29.69 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -80.21 -41.27 25.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -71.59 -3.92 24.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.499 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 2.0 pp -124.27 0.08 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.948 ' HG3' HD11 ' A' ' 85' ' ' LEU . 8.1 tt0 -62.49 -45.26 89.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.97 -3.77 14.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.807 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -87.4 -20.59 26.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.621 HG22 HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -101.59 -36.58 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 31' ' ' GLU . 59.9 t -63.75 -40.85 90.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.77 29.76 11.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 14.6 t80 -83.17 152.18 25.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.66 92.64 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.72 128.43 1.3 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.469 ' HG ' ' CB ' ' A' ' 94' ' ' SER . 0.3 OUTLIER -60.25 140.62 56.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 40' ' ' LEU . 13.9 p -38.31 116.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.05 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.8 t0 63.48 74.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.08 21.11 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 79.31 45.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -179.83 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.42 ' CE1' ' HG ' ' A' ' 89' ' ' LEU . 51.2 t80 -55.4 -41.73 73.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -48.32 -61.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' LYS . 3.5 ttm-85 -38.38 -58.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.69 ' HA ' HD12 ' A' ' 52' ' ' ILE . 76.1 mt -47.51 -62.69 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.574 ' HG3' HD21 ' A' ' 86' ' ' LEU . 6.5 tt0 -53.06 -52.83 57.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -42.16 -43.25 3.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 49' ' ' LEU . 10.3 mt -59.89 -63.52 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD13 ' CA ' ' A' ' 86' ' ' LEU . 29.9 mt -53.56 -57.0 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -51.64 -49.41 62.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -58.96 -56.54 20.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 25.7 mm100 -52.4 -46.78 66.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.644 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.0 OUTLIER -51.66 -54.19 30.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.511 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.8 t80 -50.64 -26.83 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -80.49 -31.34 37.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.41 HG12 HG21 ' A' ' 23' ' ' ILE . 57.2 mt -61.82 -42.07 93.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.51 -28.11 66.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -39.74 78.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.01 116.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -75.54 168.48 19.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.1 p -129.97 -55.35 1.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.92 38.04 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.76 65.26 1.83 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -112.25 -32.86 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.82 -63.4 2.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -40.29 -47.69 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.425 HD13 ' HB2' ' A' ' 16' ' ' SER . 38.5 mt -82.31 -54.08 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -45.45 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -49.17 78.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -63.39 -60.17 3.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -42.58 -70.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.484 ' CG ' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -44.2 -50.67 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.484 ' N ' ' CG ' ' A' ' 76' ' ' LYS . 17.2 mmt85 -56.63 -37.16 70.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -74.5 -41.99 59.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.9 -41.98 68.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -75.26 -44.27 46.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -60.64 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.667 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.5 m -47.03 -60.61 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.5 -47.81 38.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.25 -66.28 0.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.948 HD11 ' HG3' ' A' ' 31' ' ' GLU . 4.1 mm? -50.61 -51.51 48.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.574 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -41.57 -49.43 4.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -52.85 63.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -52.84 -39.04 62.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 49' ' ' LEU . 4.1 tp -54.12 -62.56 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 35.7 mt-10 -40.34 -56.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -62.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -40.72 -37.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -44.2 -73.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.469 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -178.39 -41.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.16 172.51 29.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 166.11 29.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.7 m -82.82 104.43 13.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t -169.92 -58.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m 52.69 74.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 p -167.7 123.56 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.039 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.37 121.97 0.59 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 t -124.52 162.27 24.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -107.79 95.84 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.0 162.47 18.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.429 1.08 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.74 138.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -167.5 99.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.76 83.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.39 114.38 0.77 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.7 m120 58.7 163.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 14' ' ' HIS . 12.9 tt0 -139.51 45.01 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.575 ' CE1' HD11 ' A' ' 71' ' ' ILE . 9.5 t-80 60.77 143.29 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.626 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.01 -20.97 16.32 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.494 ' OG ' HG13 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -87.68 -54.28 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.979 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -56.04 -48.49 78.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 t -60.8 -19.58 59.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.017 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.482 ' O ' HD12 ' A' ' 23' ' ' ILE . 7.1 tpp180 -79.78 -51.42 9.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.968 HD11 HG11 ' A' ' 63' ' ' VAL . 9.4 mp -56.17 -40.42 73.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -66.64 -23.89 66.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.34 -5.97 53.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.601 HD11 ' OE1' ' A' ' 59' ' ' GLU . 2.5 mt -111.36 -36.09 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -62.35 -49.93 73.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -55.99 -28.4 57.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.02 -63.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.73 HG11 ' OG1' ' A' ' 82' ' ' THR . 13.1 m -55.29 -30.2 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -41.07 28.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 25' ' ' ARG . . . -69.16 -13.95 62.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.629 HG21 HG21 ' A' ' 52' ' ' ILE . 2.2 pp -112.91 4.76 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.693 ' O ' HG23 ' A' ' 35' ' ' VAL . 25.6 tt0 -66.01 -42.69 53.5 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.96 -0.99 10.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.725 ' C ' HD21 ' A' ' 49' ' ' LEU . 15.6 mt-30 -92.02 -7.21 49.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.664 ' CG1' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -122.94 -37.75 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 31' ' ' GLU . 25.3 t -37.95 -69.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.38 49.67 0.83 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.499 ' CG ' ' N ' ' A' ' 38' ' ' SER . 29.3 t80 -81.06 164.86 22.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.499 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 91.7 p -146.49 105.73 3.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.452 ' HA3' ' CZ ' ' A' ' 37' ' ' PHE . . . 178.64 147.87 7.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.2 145.23 51.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.1 p -39.67 108.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.485 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 1.5 m-20 72.81 82.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 0.5 OUTLIER 163.22 162.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 69.21 -97.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' TYR . 2.8 t-20 -116.8 -36.96 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.522 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 3.6 t80 -35.47 -40.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 mmtm -48.34 -60.25 2.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -59.06 -54.4 47.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.725 HD21 ' C ' ' A' ' 33' ' ' GLN . 2.3 mp -40.73 -59.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 54' ' ' THR . 5.0 tt0 -49.89 -63.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 54' ' ' THR . 13.4 mmt180 -45.22 -52.66 9.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.629 HG21 HG21 ' A' ' 30' ' ' ILE . 66.5 mt -49.01 -60.53 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.601 HD22 HG23 ' A' ' 82' ' ' THR . 44.6 mt -57.26 -56.55 20.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -45.13 -38.14 4.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -48.8 34.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 14.2 mm100 -59.75 -47.75 84.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.646 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.4 tm? -54.73 -57.73 10.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.535 ' N ' HD13 ' A' ' 57' ' ' LEU . 2.1 t80 -47.41 -28.19 2.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.601 ' OE1' HD11 ' A' ' 23' ' ' ILE . 1.3 mm-40 -78.1 -32.38 50.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 57' ' ' LEU . 33.0 mt -62.96 -47.59 92.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.69 -15.47 62.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.47 -36.7 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.968 HG11 HD11 ' A' ' 20' ' ' LEU . 24.7 t -60.24 117.3 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -83.84 137.35 33.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -98.38 -32.49 11.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.376 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 57.78 40.48 26.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.98 56.78 20.53 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' ILE . 23.7 mttm -129.89 91.0 3.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 0.738 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -39.41 -58.18 2.1 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 69' ' ' GLY . 1.5 m-20 -38.7 -37.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.376 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.575 HD11 ' CE1' ' A' ' 14' ' ' HIS . 97.8 mt -91.77 -56.63 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.32 -45.88 6.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -54.77 43.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -56.83 -54.58 44.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -50.21 -67.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -49.73 -25.22 2.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 5.0 mmm180 -81.86 -31.99 31.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -79.17 -22.1 45.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.4 -35.67 76.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -80.27 -37.77 32.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -62.8 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.73 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -50.64 -58.95 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -49.7 -39.66 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.89 -60.33 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.339 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.664 HD12 ' CG1' ' A' ' 34' ' ' VAL . 3.5 mm? -56.76 -52.01 66.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.46 ' HG ' HD13 ' A' ' 53' ' ' LEU . 1.4 mt -40.96 -60.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mmmt -39.87 -54.72 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.64 -40.49 83.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.522 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 9.5 tp -44.27 -28.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.549 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 0.7 OUTLIER -84.73 -54.68 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -58.03 -56.08 26.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 35' ' ' VAL . 1.3 m-80 -52.31 -44.78 65.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -40.47 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t -171.38 -40.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.041 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 61.66 161.5 0.17 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -45.91 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.538 1.81 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.9 m -102.02 118.0 35.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 55.62 167.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t -113.15 -58.41 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.996 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.14 145.37 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.56 -140.25 6.53 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.89 147.33 30.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 m -132.99 138.79 46.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.21 140.2 5.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.108 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -175.31 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -116.87 160.77 20.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -108.65 136.09 48.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.67 -124.06 6.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -59.65 156.4 13.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 14' ' ' HIS . 13.8 tt0 -132.96 43.0 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.59 ' CE1' HD11 ' A' ' 71' ' ' ILE . 18.4 t-80 61.33 139.5 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.638 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -75.02 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.55 1.816 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 50.6 m -107.9 -48.06 3.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.2 mm -63.37 -40.22 88.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.8 t -60.12 -34.9 74.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -63.98 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.325 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.042 ' CD1' HG21 ' A' ' 63' ' ' VAL . 1.3 mp -44.68 -36.87 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -67.51 -40.38 85.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -77.81 -11.16 59.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.508 HG23 ' HB3' ' A' ' 56' ' ' GLN . 1.7 mt -100.7 -30.01 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.528 ' O ' HG22 ' A' ' 27' ' ' VAL . 50.6 mt-30 -68.54 -53.15 24.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 26' ' ' GLU . 3.4 ptm180 -54.02 -22.06 9.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.3 mm-40 -75.4 -56.27 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 24' ' ' GLN . 20.3 m -61.36 -29.2 45.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -77.45 -37.76 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.234 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.65 -9.36 58.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.501 ' CG1' ' HA ' ' A' ' 27' ' ' VAL . 1.3 pp -120.15 3.66 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.643 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 24.8 tt0 -66.27 -43.25 53.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.01 1.13 8.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.639 ' C ' HD21 ' A' ' 49' ' ' LEU . 16.2 mt-30 -93.82 -12.01 29.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.728 ' CG1' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -113.45 -33.26 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.35 -43.31 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.35 22.08 42.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.462 ' CG ' ' N ' ' A' ' 38' ' ' SER . 84.4 t80 -73.75 169.79 16.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.462 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -167.61 103.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.74 -161.52 35.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 mt -100.81 175.38 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.7 p -86.81 49.68 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 167.88 55.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -116.66 175.98 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -75.74 59.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.44 -55.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.531 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 56.3 t80 -46.78 -50.09 18.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -54.72 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.61 -67.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.639 HD21 ' C ' ' A' ' 33' ' ' GLN . 2.8 mp -41.9 -65.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 54' ' ' THR . 2.8 tt0 -40.18 -55.95 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' O ' HG22 ' A' ' 54' ' ' THR . 16.0 mmt85 -55.76 -50.04 71.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -52.35 -55.24 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.7 mt -57.09 -58.41 8.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -50.19 -44.3 52.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -60.35 -63.76 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.508 ' HB3' HG23 ' A' ' 23' ' ' ILE . 17.1 mm100 -44.44 -51.38 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.646 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -54.1 -57.44 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.51 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.3 t80 -47.73 -27.54 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 56' ' ' GLN . 1.6 mm-40 -79.39 -32.25 43.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' LEU . 53.1 mt -61.61 -49.38 84.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -59.86 -29.86 68.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -38.57 91.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 1.042 HG21 ' CD1' ' A' ' 20' ' ' LEU . 3.5 t -59.58 111.77 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -79.47 115.6 19.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.719 HG22 HG22 ' A' ' 71' ' ' ILE . 22.9 p -84.68 -14.89 47.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 39.1 45.52 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 38.59 59.21 1.64 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -103.82 -20.93 13.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.38 -50.06 4.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -49.51 -57.27 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.719 HG22 HG22 ' A' ' 65' ' ' THR . 12.7 mt -75.11 -54.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.61 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' ILE . 7.7 mt-30 -76.05 -58.13 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -62.96 -46.05 89.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.46 ' NE ' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -50.46 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -27.57 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -76.49 -34.12 58.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -81.2 -33.5 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.63 85.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.53 -41.51 75.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.646 HG21 ' HB2' ' A' ' 57' ' ' LEU . 52.3 m -46.62 -62.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -48.48 -47.1 38.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.34 -60.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.728 HD12 ' CG1' ' A' ' 34' ' ' VAL . 1.8 mm? -56.52 -48.36 77.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.68 -62.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -43.67 -58.35 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -47.3 -45.6 24.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.659 ' HA ' HG23 ' A' ' 34' ' ' VAL . 8.8 tp -41.89 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 3.0 mt-10 -38.56 -61.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.14 -64.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -40.17 -51.72 2.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -40.44 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -168.85 -70.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -71.57 155.25 52.09 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.583 1.177 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.08 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.025 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -166.94 -56.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.8 p -161.56 133.28 5.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 48.22 82.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.85 153.66 4.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.76 -92.0 1.6 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t 61.39 95.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.77 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 p -175.89 153.93 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.52 164.8 33.7 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.28 132.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -165.06 147.4 8.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -139.84 150.15 44.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 114.11 -116.61 3.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -84.69 133.35 34.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -85.23 108.53 17.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.468 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 12.3 t-80 -45.12 141.71 3.16 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.585 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -74.99 -15.43 20.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.647 ' HB2' HD13 ' A' ' 71' ' ' ILE . 48.0 m -91.59 -34.8 14.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 71' ' ' ILE . 16.5 mm -67.48 -55.32 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.8 t -48.54 -44.57 36.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -53.79 -59.15 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 74' ' ' ALA . 38.7 mt -49.72 -47.06 50.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.25 -21.67 65.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.2 tt0 -95.05 -16.51 22.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.582 HG23 ' HB3' ' A' ' 56' ' ' GLN . 4.4 mt -91.69 -38.05 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.31 -46.94 86.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -58.64 -29.75 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 30' ' ' ILE . 3.5 mm-40 -68.94 -59.89 2.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.781 HG11 ' OG1' ' A' ' 82' ' ' THR . 12.7 m -59.95 -32.07 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -43.51 65.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.7 -20.92 65.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.548 HG21 HG21 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -109.11 6.22 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.679 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 22.8 tt0 -64.45 -40.45 50.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -75.03 -30.34 7.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.716 ' HB3' HD21 ' A' ' 49' ' ' LEU . 23.5 mt-30 -62.66 -21.56 65.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.54 ' HB ' HD12 ' A' ' 85' ' ' LEU . 74.4 t -93.23 -48.95 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.57 -38.87 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.67 19.02 56.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.602 ' CD2' HD12 ' A' ' 89' ' ' LEU . 15.4 t80 -68.06 174.12 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.99 89.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.464 ' O ' ' CA ' ' A' ' 93' ' ' ALA . . . 170.74 172.25 36.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.76 178.47 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.79 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.6 p -92.72 32.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 4.3 p-10 179.0 47.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 45' ' ' ASN . 1.3 t70 175.92 -173.91 0.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt 68.52 -73.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' ASP . 18.4 t-20 -170.38 33.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CE2' ' OE1' ' A' ' 50' ' ' GLU . 66.0 t80 -81.69 -36.93 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -70.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' LEU . 3.5 tpt85 -38.53 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.814 ' HA ' HD12 ' A' ' 52' ' ' ILE . 5.8 mp -38.9 -61.29 0.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.427 ' OE1' ' CE2' ' A' ' 46' ' ' TYR . 3.4 tt0 -47.31 -58.84 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' O ' HG22 ' A' ' 54' ' ' THR . 7.7 mtt180 -43.69 -47.97 7.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 49' ' ' LEU . 14.8 mt -54.3 -71.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.543 HD22 HG23 ' A' ' 82' ' ' THR . 39.6 mt -44.28 -55.67 4.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -50.59 -34.5 26.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.425 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -77.07 -46.65 22.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.339 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.582 ' HB3' HG23 ' A' ' 23' ' ' ILE . 28.4 mm100 -61.5 -46.09 91.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.635 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.1 tm? -53.97 -57.22 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.525 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.7 t80 -47.77 -27.67 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.521 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -79.11 -32.07 44.44 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.431 ' CG2' ' HG2' ' A' ' 75' ' ' ARG . 26.0 mt -62.5 -48.12 89.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.76 -31.53 72.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -35.7 81.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.413 HG13 ' HB3' ' A' ' 16' ' ' SER . 3.2 t -58.66 114.69 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -85.51 130.95 34.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 67' ' ' GLY . 81.3 p -113.59 85.67 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.68 63.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' THR . . . 37.42 63.81 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -112.69 -31.51 6.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.734 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.44 -63.85 2.96 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -41.71 -42.57 2.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 16' ' ' SER . 29.4 mt -86.43 -52.3 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.404 ' HA ' HG21 ' A' ' 65' ' ' THR . 0.1 OUTLIER -45.06 -43.94 9.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -59.72 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 20' ' ' LEU . . . -49.86 -67.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.431 ' HG2' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -40.97 -63.23 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -40.37 -59.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -56.99 -46.71 82.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.41 -49.86 68.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' CA ' HG21 ' A' ' 60' ' ' ILE . . . -49.33 -44.71 44.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -72.16 -44.82 62.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.74 -62.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.781 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -47.82 -61.52 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.365 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.89 -37.28 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -44.44 83.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.54 HD12 ' HB ' ' A' ' 34' ' ' VAL . 1.6 mm? -73.47 -44.03 58.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.52 ' HG ' HD13 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -54.62 -42.16 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -33.47 64.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 1.3 mm-40 -68.59 -17.55 64.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.602 HD12 ' CD2' ' A' ' 37' ' ' PHE . 45.1 tp -86.69 -59.94 2.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 91' ' ' GLN . 8.5 pt-20 -46.3 -36.76 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 1.4 mt-30 -76.03 -61.08 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 88' ' ' GLU . 27.9 m-20 -52.02 -28.17 16.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.464 ' CA ' ' O ' ' A' ' 39' ' ' GLY . . . -46.05 -72.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.0 t -178.99 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 55.87 173.16 0.14 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 164.3 33.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 99' ' ' GLY . 52.0 p -89.95 133.47 34.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.2 m 62.9 -81.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 97' ' ' SER . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -85.17 90.45 7.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 p -45.81 111.06 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.2 -170.45 43.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 p -174.72 153.38 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m 53.86 94.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.28 102.0 0.24 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 mtm -157.84 94.0 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.64 166.87 11.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -159.6 133.81 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 130.53 -123.67 4.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -72.81 103.51 3.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -87.28 93.99 9.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.493 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.7 t-80 -40.83 143.01 0.75 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.1 Cg_endo -75.01 -32.69 5.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.768 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.424 ' HB3' HG13 ' A' ' 63' ' ' VAL . 49.3 m -71.81 -34.71 69.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.462 ' CD1' HG12 ' A' ' 71' ' ' ILE . 18.2 mm -68.04 -59.15 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.9 t -51.33 -27.14 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -73.54 -68.1 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -53.64 -25.43 17.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -72.57 -29.94 63.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.29 -25.41 54.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.574 HG21 HG12 ' A' ' 60' ' ' ILE . 1.4 mt -79.58 -24.67 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.483 ' O ' HG22 ' A' ' 27' ' ' VAL . 6.0 mt-30 -68.03 -52.57 34.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -28.23 46.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.65 -62.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.606 HG11 ' OG1' ' A' ' 82' ' ' THR . 15.9 m -54.27 -28.15 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -78.64 -39.45 37.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.88 -11.62 60.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.538 ' O ' HG23 ' A' ' 34' ' ' VAL . 2.6 pp -115.63 -3.72 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 13.3 tt0 -55.0 -44.41 99.59 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.06 -39.27 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -53.94 -20.74 6.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.63 HG22 HD13 ' A' ' 49' ' ' LEU . 63.5 t -94.43 -50.9 11.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 31' ' ' GLU . 95.1 t -58.1 -38.05 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.62 26.96 22.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.405 ' CG ' ' N ' ' A' ' 38' ' ' SER . 36.3 t80 -75.7 162.99 27.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 111.035 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -150.55 102.73 3.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 93' ' ' ALA . . . 172.89 158.85 18.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.42 143.47 29.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 83.4 p -40.85 107.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 41' ' ' SER . 2.2 m-20 82.38 101.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -164.01 -175.32 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.71 63.45 2.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 172.07 -54.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.534 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 29.6 t80 -48.08 -47.02 34.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -47.01 -45.63 21.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -52.43 -66.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.85 ' HA ' HD12 ' A' ' 52' ' ' ILE . 18.1 mt -45.19 -62.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -50.02 -37.6 33.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' O ' HG22 ' A' ' 54' ' ' THR . 7.6 mmt180 -66.36 -35.97 81.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 49' ' ' LEU . 23.0 mt -61.24 -65.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.494 ' CB ' ' HG ' ' A' ' 86' ' ' LEU . 3.9 mm? -45.62 -62.85 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -48.85 -53.0 21.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.519 ' N ' ' CG2' ' A' ' 54' ' ' THR . 1.1 tmtt? -54.54 -53.86 48.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -57.77 -47.4 82.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.829 ' HB2' HG21 ' A' ' 82' ' ' THR . 0.9 OUTLIER -50.59 -54.85 19.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.545 ' N ' HD13 ' A' ' 57' ' ' LEU . 4.1 t80 -51.1 -26.2 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.447 ' OE1' HD11 ' A' ' 23' ' ' ILE . 3.6 mm-40 -81.59 -29.95 33.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.574 HG12 HG21 ' A' ' 23' ' ' ILE . 7.3 mt -66.22 -50.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.15 -27.68 68.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -35.07 78.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.664 HG11 ' HB3' ' A' ' 20' ' ' LEU . 3.6 t -69.19 108.39 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -62.19 172.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.762 HG22 HG22 ' A' ' 71' ' ' ILE . 25.7 p -131.94 -50.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 65.42 51.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.63 37.64 61.62 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.536 1.148 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -111.0 90.42 3.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.75 -40.82 12.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -50.82 -22.26 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.762 HG22 HG22 ' A' ' 65' ' ' THR . 80.8 mt -103.42 -50.03 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -39.64 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -60.77 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB3' HD21 ' A' ' 20' ' ' LEU . . . -50.33 -69.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.731 ' HG3' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -38.8 -61.91 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.81 -63.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -49.14 -31.5 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 75' ' ' ARG . . . -77.27 -37.2 53.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -60.63 -37.42 81.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -75.91 -42.38 49.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.26 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -49.26 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.829 HG21 ' HB2' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -59.91 -65.5 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.478 ' N ' HG22 ' A' ' 82' ' ' THR . 0.9 OUTLIER -44.92 -51.03 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -49.99 10.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 31' ' ' GLU . 3.1 mm? -64.13 -45.25 89.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.494 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -43.17 -58.04 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 88' ' ' GLU . 7.1 mmmt -52.72 -55.97 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 87' ' ' LYS . 1.9 mm-40 -38.08 -47.92 1.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.544 ' CD1' HD12 ' A' ' 49' ' ' LEU . 33.4 tp -43.84 -59.65 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.64 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 28.2 mt-10 -45.51 -44.25 12.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -66.7 -65.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -48.16 -29.73 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -46.06 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 167.81 -52.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.971 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.54 161.77 45.42 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 148.02 34.71 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.789 . . . . 0.0 111.007 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.53 122.13 24.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 m -134.74 144.42 47.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.37 131.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 110.023 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m 61.78 158.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.83 64.93 0.99 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.3 81.8 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.022 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -147.43 136.58 22.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.31 97.93 0.21 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.89 122.65 4.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.13 -56.26 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.32 167.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.59 -106.39 0.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -51.77 119.9 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -71.05 99.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.494 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.2 t-80 -44.45 142.72 2.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.494 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.03 -23.02 14.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.549 ' HB2' HD13 ' A' ' 71' ' ' ILE . 41.5 m -85.93 -16.91 36.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.001 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 mm -89.84 -55.39 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.9 t -44.76 -34.31 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.597 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -61.66 -57.68 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.743 HD21 ' HA ' ' A' ' 75' ' ' ARG . 9.4 mt -56.62 -20.9 23.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -86.25 -16.05 38.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -99.22 -16.04 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.597 HD12 ' HG3' ' A' ' 19' ' ' ARG . 31.2 mt -97.49 -43.4 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 24.1 mt-30 -58.38 -42.45 87.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -63.74 -27.91 69.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.36 -61.09 1.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.855 HG11 ' OG1' ' A' ' 82' ' ' THR . 18.2 m -53.76 -29.34 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 24' ' ' GLN . 1.4 mmtp -75.92 -45.17 36.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.54 -10.35 50.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.635 HD11 ' CD2' ' A' ' 53' ' ' LEU . 1.1 pp -120.82 -2.05 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 18.3 tt0 -55.27 -44.53 99.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.5 Cg_endo -75.02 -20.03 17.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -70.3 -19.27 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.352 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' HB ' HD22 ' A' ' 85' ' ' LEU . 72.6 t -100.98 -44.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 31' ' ' GLU . 59.0 t -62.6 -38.31 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.17 26.51 24.02 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 17.4 t80 -79.14 155.56 28.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.81 100.42 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 93' ' ' ALA . . . 165.28 144.87 4.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -48.08 171.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.578 ' HA ' ' CD1' ' A' ' 46' ' ' TYR . 19.4 m -89.67 44.54 1.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 t70 176.0 55.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -127.62 173.07 10.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 61.81 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -177.35 -47.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 41' ' ' SER . 72.2 t80 -57.92 -49.61 76.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -48.12 -53.47 16.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -51.89 -61.09 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.846 ' HA ' HD12 ' A' ' 52' ' ' ILE . 68.4 mt -44.65 -64.49 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.786 ' HG3' HD21 ' A' ' 86' ' ' LEU . 16.3 tt0 -51.26 -44.79 61.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -52.34 -41.5 63.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.846 HD12 ' HA ' ' A' ' 49' ' ' LEU . 11.5 mt -60.82 -59.65 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.635 ' CD2' HD11 ' A' ' 30' ' ' ILE . 97.2 mt -56.08 -56.19 23.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -53.9 -44.53 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 51' ' ' ARG . 4.3 tptm -64.79 -53.14 51.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 18.6 mm100 -55.6 -49.15 73.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.556 HD13 ' C ' ' A' ' 57' ' ' LEU . 1.4 tm? -53.01 -54.1 40.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.456 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.1 t80 -50.3 -26.75 5.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.522 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -79.83 -30.31 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.436 ' O ' ' CD ' ' A' ' 75' ' ' ARG . 55.9 mt -65.04 -44.92 95.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -72.96 -4.69 33.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.63 -56.49 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.567 HG12 ' HD2' ' A' ' 75' ' ' ARG . 1.6 p -57.08 129.65 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -84.62 175.8 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 p -130.72 -44.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 79.16 45.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.35 63.64 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -112.32 -32.96 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 98.89 -65.05 0.71 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.56 1.163 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' GLY . 36.7 m-20 -39.82 -52.11 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 16' ' ' SER . 35.3 mt -75.19 -55.89 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.488 ' OE1' ' CE ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -42.5 -55.05 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 77' ' ' ARG . 0.7 OUTLIER -53.2 -41.08 64.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.428 ' CB ' HD13 ' A' ' 20' ' ' LEU . . . -67.1 -66.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.743 ' HA ' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -39.01 -57.86 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.284 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.488 ' CE ' ' OE1' ' A' ' 72' ' ' GLN . 14.1 ptpt -57.61 -42.29 82.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 73' ' ' GLN . 17.6 mmt180 -62.49 -45.21 94.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.06 97.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -55.76 -37.01 67.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.13 -37.94 66.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -66.92 -58.92 4.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.855 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.2 m -55.07 -42.85 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.441 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 50.0 mm-40 -66.39 -21.12 66.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -49.72 52.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.582 ' HB3' HD11 ' A' ' 53' ' ' LEU . 3.5 mt -58.95 -51.32 70.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.786 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -43.89 -40.24 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -64.89 -44.4 89.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -59.62 -46.82 87.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.5 tp -45.63 -63.84 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.654 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 4.0 mm-40 -39.07 -61.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' ASN . 18.0 mt-30 -58.99 -64.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 91' ' ' GLN . 1.5 m-80 -39.93 -43.63 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -39.93 -76.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.54 -35.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -105.23 161.44 14.77 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.04 32.12 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.3 t -87.58 147.57 25.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.12 158.78 43.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.92 134.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.972 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.18 95.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.947 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.24 -165.15 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.98 -57.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.58 151.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.61 142.06 15.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.89 149.19 30.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.85 98.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -168.28 109.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.18 -179.18 28.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 60.94 99.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -117.48 95.62 5.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.448 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 10.2 t-80 -47.42 141.29 6.86 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.4 Cg_endo -74.99 -19.17 18.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.779 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.46 ' HB2' HD13 ' A' ' 71' ' ' ILE . 29.9 m -88.16 -22.82 23.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.409 ' CD1' HG12 ' A' ' 71' ' ' ILE . 21.1 mm -86.65 -47.56 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.5 t -55.71 -22.14 22.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.676 ' HG3' HD12 ' A' ' 23' ' ' ILE . 2.1 tpp180 -80.32 -48.19 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.77 -42.64 93.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -56.48 -33.6 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -35.19 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.676 HD12 ' HG3' ' A' ' 19' ' ' ARG . 3.0 mt -71.99 -37.75 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 26' ' ' GLU . 8.6 mt-30 -64.84 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 7.5 ptp180 -43.44 -27.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.6 mm-40 -73.21 -70.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 23' ' ' ILE . 4.2 m -51.64 -28.37 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -43.2 34.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . -65.18 -16.82 63.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.509 HG12 HG21 ' A' ' 52' ' ' ILE . 2.4 pp -111.17 11.61 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.824 ' HG3' HD21 ' A' ' 85' ' ' LEU . 26.7 tt0 -72.85 -42.69 7.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.1 Cg_endo -75.0 1.18 8.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.779 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.632 ' C ' HD21 ' A' ' 49' ' ' LEU . 18.6 mt-30 -96.68 -6.78 35.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.712 ' HB ' HD13 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -119.35 -35.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.4 t -67.99 -44.93 84.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.68 21.17 46.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.123 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 38' ' ' SER . 92.8 t80 -76.62 167.09 22.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 111.0 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.428 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.4 OUTLIER -167.87 101.66 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.09 173.9 37.16 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.055 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 mt -73.26 170.62 14.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.425 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 11.3 p -89.05 60.79 5.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 167.7 43.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -108.45 172.41 6.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -75.27 59.28 1.01 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -179.13 -50.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' A' ' 41' ' ' SER . 46.7 t80 -53.93 -47.16 71.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 51' ' ' ARG . 7.5 mmmm -54.59 -37.71 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -59.19 -58.83 6.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.632 HD21 ' C ' ' A' ' 33' ' ' GLN . 5.3 mp -52.71 -60.93 2.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.07 -36.15 28.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 47' ' ' LYS . 4.0 mmt85 -69.47 -29.75 67.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 49' ' ' LEU . 18.3 mt -70.71 -69.88 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 82' ' ' THR . 2.9 mm? -38.76 -65.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.26 -45.04 8.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -62.92 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 8.5 mm100 -49.5 -43.23 45.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.761 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.4 tm? -51.48 -54.18 29.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.47 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.3 t80 -51.0 -26.16 5.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.511 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -81.67 -31.89 32.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.404 HG23 ' HG2' ' A' ' 75' ' ' ARG . 25.2 mt -62.74 -48.25 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -61.73 -31.33 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -53.1 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.0 t -40.28 123.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -89.63 135.62 33.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.673 HG22 HG22 ' A' ' 71' ' ' ILE . 41.3 p -121.22 84.69 2.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -68.81 62.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' THR . . . 36.86 67.98 0.38 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -116.77 -39.62 3.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 99.82 -63.21 0.67 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -41.17 -37.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.673 HG22 HG22 ' A' ' 65' ' ' THR . 46.8 mt -92.02 -51.78 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -42.99 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -56.36 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.365 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -55.32 -58.56 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -45.83 -68.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 5.5 pttt -48.08 -39.21 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.405 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 8.8 mmm180 -67.15 -30.51 70.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -84.19 -35.24 23.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.53 -20.83 63.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 84' ' ' ARG . 91.7 mt-30 -92.04 -49.21 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.09 -62.61 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.761 HG21 ' HB2' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -45.45 -59.68 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -60.82 -21.57 63.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -70.76 -40.03 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.824 HD21 ' HG3' ' A' ' 31' ' ' GLU . 13.1 mt -77.56 -47.83 18.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 1.2 mt -39.44 -49.24 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -67.95 -43.1 79.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 85' ' ' LEU . 8.6 mm-40 -51.67 -47.11 63.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.712 HD13 ' HB ' ' A' ' 34' ' ' VAL . 12.4 tp -52.56 -61.61 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -53.46 -32.4 49.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -74.99 -28.47 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -108.48 21.12 17.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.39 -83.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 t -175.77 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.95 172.63 31.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 169.86 21.69 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.8 m -154.05 84.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.97 112.51 6.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m 61.81 168.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.02 160.16 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.49 -171.44 14.4 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.496 1.123 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.9 162.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 p -145.38 153.61 41.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.36 -128.54 0.96 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.68 130.23 52.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.08 139.72 14.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.83 90.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.52 117.28 0.39 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -100.57 115.71 30.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' HIS . 12.2 tt0 -72.01 93.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.764 ' CE1' HD11 ' A' ' 71' ' ' ILE . 9.7 t-80 -40.13 143.59 0.61 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.588 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.0 -23.53 13.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.721 ' O ' HD13 ' A' ' 20' ' ' LEU . 51.2 m -81.68 -39.44 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mm -68.83 -48.38 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.5 t -51.26 -24.81 4.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.583 ' HG3' HD12 ' A' ' 23' ' ' ILE . 3.6 tpp180 -82.55 -44.27 16.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.813 ' CD1' HG21 ' A' ' 63' ' ' VAL . 11.1 mp -59.84 -42.47 93.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -60.08 -23.21 63.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.11 -14.56 30.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.583 HD12 ' HG3' ' A' ' 19' ' ' ARG . 6.0 mt -94.46 -41.95 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.497 ' O ' HG22 ' A' ' 27' ' ' VAL . 22.8 mt-30 -60.87 -44.64 96.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -61.44 -30.75 70.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.259 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.02 -55.72 13.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.777 HG11 ' OG1' ' A' ' 82' ' ' THR . 17.1 m -61.66 -27.07 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -40.76 28.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.76 -12.53 61.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.581 ' O ' HG13 ' A' ' 34' ' ' VAL . 2.4 pp -114.56 -6.86 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.5 tt0 -51.01 -46.27 88.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.01 -18.23 18.86 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.788 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.507 HE21 HG22 ' A' ' 30' ' ' ILE . 10.1 mt-30 -74.89 -16.8 60.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 30' ' ' ILE . 2.0 m -109.54 -34.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 31' ' ' GLU . 55.9 t -62.53 -51.1 76.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.32 34.86 5.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 49' ' ' LEU . 24.2 t80 -81.96 159.39 23.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.79 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.404 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -152.64 102.58 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.011 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.35 132.82 1.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.672 HD22 ' HB2' ' A' ' 94' ' ' SER . 2.4 mm? -59.95 145.68 45.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 42' ' ' ASP . 5.8 p -45.87 107.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 41' ' ' SER . 14.3 t0 77.02 81.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.8 26.65 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.87 46.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 179.76 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 17.6 t80 -65.0 -11.22 36.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -48.89 41.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -51.08 69.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.625 ' HA ' HD12 ' A' ' 52' ' ' ILE . 53.1 mt -49.59 -51.21 38.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.623 ' HG3' HD21 ' A' ' 86' ' ' LEU . 13.4 tt0 -67.32 -55.52 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 mmt180 -40.63 -38.88 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 49' ' ' LEU . 19.1 mt -56.83 -69.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 82' ' ' THR . 3.8 mm? -41.68 -64.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -49.74 -52.36 32.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.442 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' N ' ' CG2' ' A' ' 54' ' ' THR . 0.0 OUTLIER -53.77 -44.7 70.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.7 mm100 -68.11 -49.25 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.829 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.7 tm? -51.4 -56.83 11.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.47 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -47.5 -28.75 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' HB3' HD11 ' A' ' 23' ' ' ILE . 4.6 mm-40 -78.9 -30.93 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.481 HG12 HG21 ' A' ' 23' ' ' ILE . 37.5 mt -65.7 -51.94 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.65 -24.25 66.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.33 -30.29 68.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.813 HG21 ' CD1' ' A' ' 20' ' ' LEU . 2.2 t -64.13 107.19 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.37 118.95 8.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.599 HG22 HG22 ' A' ' 71' ' ' ILE . 69.7 p -87.38 -35.53 18.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 54.32 25.5 5.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.86 38.47 41.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.594 ' HB2' HD12 ' A' ' 71' ' ' ILE . 17.2 mttt -103.49 103.77 13.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.751 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 71' ' ' ILE . . . -45.79 -50.2 11.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -45.42 -26.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.764 HD11 ' CE1' ' A' ' 14' ' ' HIS . 44.1 mt -101.95 -55.09 6.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.58 -27.0 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -54.29 5.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -65.4 -56.37 12.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -37.57 -71.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -49.74 -47.73 50.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.25 -53.44 35.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.21 82.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.58 -35.98 9.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 84' ' ' ARG . 79.1 mt-30 -71.04 -52.87 17.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER -44.25 -63.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.829 HG21 ' HB2' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -47.53 -61.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.433 ' N ' HG22 ' A' ' 82' ' ' THR . 15.1 mm-40 -56.69 -18.59 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 1.6 ttt85 -71.65 -41.3 68.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 31' ' ' GLU . 5.2 mt -76.51 -48.67 18.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.623 HD21 ' HG3' ' A' ' 50' ' ' GLU . 1.2 mt -37.93 -42.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.41 -58.76 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -47.94 -48.5 32.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 33.0 tp -45.78 -57.02 4.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.789 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 2.7 mt-10 -47.78 -59.96 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.04 -62.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -41.33 -33.38 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.789 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -49.07 -73.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.672 ' HB2' HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER 178.13 -38.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.065 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 162.06 153.54 7.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -55.64 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.3 m 65.94 99.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.046 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.6 t -106.22 124.76 50.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.98 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.16 163.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.42 166.2 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.11 176.86 47.22 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.72 -60.34 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 0.799 . . . . 0.0 110.006 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.02 117.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.78 132.44 3.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.1 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.59 -59.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -153.13 166.22 33.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.42 147.69 46.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.58 114.8 4.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 55.31 98.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -93.19 88.06 5.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.256 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.538 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 8.1 t-80 -45.49 144.09 2.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.603 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.538 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.0 -24.25 13.0 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.467 ' HB3' ' ND1' ' A' ' 14' ' ' HIS . 28.8 t -82.0 -7.11 59.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.79 HD11 HG12 ' A' ' 71' ' ' ILE . 6.1 mm -106.46 -35.76 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.1 t -69.54 -30.97 68.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.455 ' HG3' HD12 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -60.53 -56.83 16.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.637 HD11 HG11 ' A' ' 63' ' ' VAL . 4.2 mp -52.38 -43.54 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -50.09 -25.86 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.35 -25.13 19.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.455 HD12 ' HG3' ' A' ' 19' ' ' ARG . 3.1 mt -83.4 -31.0 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -67.14 -50.58 60.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -24.76 39.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.52 -61.59 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.493 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 18.7 m -57.59 -26.17 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 1.7 mmtp -79.16 -41.4 28.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -8.71 41.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.892 HD11 HD21 ' A' ' 53' ' ' LEU . 2.5 pp -119.83 6.47 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.681 ' O ' HG23 ' A' ' 35' ' ' VAL . 34.9 tt0 -68.26 -41.77 26.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.657 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.3 Cg_endo -74.96 -1.57 11.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 0.0 111.038 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -89.28 -58.96 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.777 HG23 ' HA ' ' A' ' 89' ' ' LEU . 0.8 OUTLIER -62.56 -38.53 81.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 31' ' ' GLU . 89.4 t -62.11 -48.26 89.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.64 33.33 6.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.117 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 93' ' ' ALA . 11.2 t80 -84.06 152.84 24.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.432 ' N ' ' CD1' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -147.4 101.74 3.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.43 -140.29 3.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' C ' ' HB1' ' A' ' 93' ' ' ALA . 18.2 mt -124.75 -178.78 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 p -89.47 115.07 26.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 4.3 m-20 60.34 83.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 42' ' ' ASP . 3.1 m-20 155.75 170.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 38' ' ' SER . 2.6 tttt 64.06 -103.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 46' ' ' TYR . 4.2 t-20 -113.87 -30.7 6.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.431 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 5.4 t80 -36.47 -46.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -42.23 -49.9 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -62.08 -57.64 10.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.838 ' HA ' HD12 ' A' ' 52' ' ' ILE . 77.9 mt -43.3 -56.14 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.514 ' HG3' HD21 ' A' ' 86' ' ' LEU . 18.4 tt0 -58.03 -52.63 64.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.99 -46.28 11.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 49' ' ' LEU . 5.8 mt -56.55 -64.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.892 HD21 HD11 ' A' ' 30' ' ' ILE . 83.4 mt -51.6 -56.8 11.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -48.98 -42.98 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -49.89 66.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 23' ' ' ILE . 14.8 mm100 -59.42 -46.12 89.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.278 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 60' ' ' ILE . 1.5 tm? -57.4 -58.62 7.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' N ' HD13 ' A' ' 57' ' ' LEU . 7.2 t80 -46.9 -28.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.74 -32.55 57.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.478 HG23 ' HG3' ' A' ' 75' ' ' ARG . 78.1 mt -60.36 -45.13 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -70.29 -33.93 72.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -58.99 -61.2 2.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.94 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.637 HG11 HD11 ' A' ' 20' ' ' LEU . 41.8 t -43.74 108.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -59.85 159.85 8.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.452 ' CG2' ' HD2' ' A' ' 75' ' ' ARG . 27.6 p -115.86 -33.86 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 68.64 20.92 8.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.46 56.81 15.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 71' ' ' ILE . 2.5 mttm -132.87 102.14 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -39.02 -61.74 1.34 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' GLY . 7.2 m-20 -37.42 -35.4 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.756 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.79 HG12 HD11 ' A' ' 17' ' ' ILE . 7.7 mt -92.49 -59.71 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.52 -44.14 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -53.1 -57.3 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ARG . . . -40.26 -65.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.611 HH21 HG11 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -37.48 -70.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 75' ' ' ARG . 2.8 tttt -39.67 -58.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -53.28 -44.34 68.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.5 -49.27 77.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.24 -56.5 21.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -51.76 -25.54 7.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.22 -52.61 7.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.457 ' OG1' HG11 ' A' ' 27' ' ' VAL . 4.5 m -65.43 -42.35 92.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -68.88 -17.58 64.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -73.88 -48.64 29.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.766 HD22 ' CG1' ' A' ' 34' ' ' VAL . 5.0 mt -67.11 -51.38 54.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.514 HD21 ' HG3' ' A' ' 50' ' ' GLU . 0.6 OUTLIER -40.1 -38.52 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -63.79 -53.62 48.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 85' ' ' LEU . 1.4 mm-40 -57.53 -27.35 62.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.777 ' HA ' HG23 ' A' ' 34' ' ' VAL . 6.2 tp -56.19 -51.57 67.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.725 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 3.0 mt-10 -58.14 -55.8 30.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' ASN . 0.8 OUTLIER -55.6 -66.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' GLN . 18.8 m-80 -40.28 -43.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 90' ' ' GLU . . . -41.31 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -175.2 -51.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.031 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.53 164.2 5.59 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -179.29 4.86 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.522 1.801 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.2 t -84.97 -59.05 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.92 -58.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.3 OUTLIER 67.34 -78.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.965 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 2' ' ' SER . 2.1 t 80.2 166.67 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.15 72.48 0.37 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.575 1.172 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -76.98 132.88 39.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.0 121.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.35 162.33 12.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.112 . . . . 0.0 111.037 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 mtm -139.59 153.25 47.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 0.74 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.08 121.97 38.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -97.57 166.13 11.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.55 -129.94 20.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.574 1.171 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -81.63 134.81 35.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -88.45 92.03 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.753 ' CE1' HD11 ' A' ' 71' ' ' ILE . 8.9 t-80 -39.37 143.87 0.5 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.57 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.3 Cg_endo -75.01 -20.3 16.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.671 ' OG ' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -84.62 -42.07 15.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 24.9 mm -65.14 -42.86 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.9 t -62.42 -20.16 64.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.967 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.475 ' CZ ' ' OE2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -83.62 -43.43 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.842 HD11 HG11 ' A' ' 63' ' ' VAL . 10.3 mp -62.08 -42.59 99.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -55.44 -25.55 36.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.25 -16.39 24.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 19' ' ' ARG . 86.1 mt -92.24 -43.79 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -62.42 -67.13 0.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 29' ' ' ALA . 15.8 ptt180 -39.46 -33.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 29' ' ' ALA . 4.0 mm-40 -67.74 -74.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.493 ' HA ' ' CG1' ' A' ' 30' ' ' ILE . 4.1 m -47.34 -32.85 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -75.89 -38.88 57.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 25' ' ' ARG . . . -69.49 -6.64 31.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.78 HG12 HG21 ' A' ' 52' ' ' ILE . 2.6 pp -121.5 -2.14 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.553 ' HB2' HD11 ' A' ' 85' ' ' LEU . 3.5 tt0 -55.77 -48.72 95.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.2 Cg_endo -75.06 -9.1 20.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.449 1.763 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.37 -21.84 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 30' ' ' ILE . 1.3 m -100.08 -43.01 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.413 ' HA ' ' ND2' ' A' ' 92' ' ' ASN . 87.7 t -64.25 -35.15 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.83 11.87 67.7 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.84 164.38 17.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.63 87.75 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.37 -135.16 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.556 HD23 ' HB3' ' A' ' 94' ' ' SER . 5.6 mt -136.05 -176.3 4.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p -93.85 131.3 39.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.046 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.09 67.02 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.08 -172.11 3.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -84.86 64.02 8.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 173.18 -50.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.57 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 60.0 t80 -58.41 -32.49 68.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -58.45 -60.81 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -41.34 -69.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.637 ' HA ' HD12 ' A' ' 52' ' ' ILE . 12.9 mt -41.01 -60.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -50.19 -48.16 54.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.358 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' O ' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -48.64 -53.61 17.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.152 . . . . 0.0 110.277 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.78 HG21 HG12 ' A' ' 30' ' ' ILE . 4.0 mt -43.2 -67.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 82' ' ' THR . 2.7 mm? -47.98 -62.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.51 HG22 ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -44.17 -54.76 5.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.408 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.51 ' N ' HG22 ' A' ' 54' ' ' THR . 2.0 mptt -54.94 -66.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 27.0 mm-40 -46.3 -48.28 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.852 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.2 tm? -48.5 -50.07 33.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.428 ' N ' HD13 ' A' ' 57' ' ' LEU . 1.3 t80 -54.99 -25.18 28.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 0.6 OUTLIER -83.25 -31.44 26.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.5 mt -63.09 -44.62 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -67.53 -26.14 66.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.25 -37.73 71.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.842 HG11 HD11 ' A' ' 20' ' ' LEU . 57.2 t -50.05 125.63 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -89.56 111.46 22.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.6 p -81.16 -48.47 12.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 63.15 32.65 15.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.25 63.07 3.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -112.57 -11.82 13.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . 73.88 -62.92 2.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' GLY . 69.8 m-20 -39.97 -52.46 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.753 HD11 ' CE1' ' A' ' 14' ' ' HIS . 56.2 mt -77.34 -54.19 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -41.69 -53.51 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -51.82 -42.21 62.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.91 -60.44 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -53.69 15.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -60.96 -27.05 67.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -35.35 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.49 -35.73 46.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.44 -15.82 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 84' ' ' ARG . 49.6 mt-30 -94.49 -51.29 4.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.89 -60.48 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.852 HG21 ' HB2' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -44.93 -61.37 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -58.21 -30.11 66.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 80' ' ' GLN . 4.7 ttt-85 -61.55 -43.91 98.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 31' ' ' GLU . 5.8 mt -74.79 -50.36 17.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.449 ' HG ' ' CB ' ' A' ' 53' ' ' LEU . 1.3 mt -39.48 -30.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' A' ' 85' ' ' LEU . 2.5 mmtt -80.51 -52.2 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 3.7 mm-40 -52.65 -41.97 64.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.57 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 13.8 tp -48.73 -33.58 10.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -79.27 -64.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.44 -31.76 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 35' ' ' VAL . 21.4 m-80 -81.9 -40.57 22.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . -41.07 -79.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.556 ' HB3' HD23 ' A' ' 40' ' ' LEU . 4.6 t -174.84 -39.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.977 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.54 158.06 49.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 140.84 25.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.9 m -74.31 -69.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 t -69.11 160.02 31.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 p -115.04 162.42 17.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 110.027 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -101.93 170.18 8.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.5 -147.32 8.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.01 160.26 24.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -144.57 156.65 44.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.07 -167.23 32.9 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -176.32 98.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 0.765 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.18 151.26 3.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -166.58 166.44 16.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -165.97 -123.58 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -58.5 106.98 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -78.2 98.46 5.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 15' ' ' PRO . 9.8 t-80 -44.36 143.34 2.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.635 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 14' ' ' HIS . 18.2 Cg_endo -75.0 -14.68 21.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.438 1.757 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.432 ' HB2' HD13 ' A' ' 71' ' ' ILE . 56.5 m -89.17 -32.27 17.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.949 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.2 mm -72.16 -52.99 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.6 t -51.24 -41.05 60.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -63.41 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.5 mt -51.98 -32.51 33.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -73.71 -24.35 59.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -89.48 -19.92 24.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.481 HG23 ' HB3' ' A' ' 56' ' ' GLN . 3.6 mt -89.88 -35.07 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -64.4 -44.95 89.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -61.96 -25.7 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.323 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 30' ' ' ILE . 3.2 mm-40 -76.89 -68.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.724 HG11 ' OG1' ' A' ' 82' ' ' THR . 13.1 m -47.62 -36.32 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.79 -40.62 69.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.9 -16.53 61.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -112.68 2.43 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.922 ' O ' HG23 ' A' ' 35' ' ' VAL . 9.8 tt0 -63.16 -46.39 86.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -75.0 -8.22 19.88 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -33.27 59.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.632 HG22 ' CD1' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -93.39 -34.22 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.922 HG23 ' O ' ' A' ' 31' ' ' GLU . 46.7 t -65.02 -35.94 76.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.31 25.74 25.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -85.67 130.21 34.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.25 93.63 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.68 -148.75 5.28 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.706 HD23 ' OG ' ' A' ' 94' ' ' SER . 5.3 mt -126.28 133.52 51.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.8 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.488 ' HA ' ' CD2' ' A' ' 46' ' ' TYR . 0.5 OUTLIER -44.04 110.94 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 110.009 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.03 94.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.23 -161.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -85.82 70.0 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 165.55 -48.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.577 ' CE2' ' HG ' ' A' ' 89' ' ' LEU . 2.7 t80 -58.55 -51.42 69.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -41.39 -59.22 1.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' LYS . 5.0 ttt180 -38.76 -52.49 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.533 HD13 HG12 ' A' ' 34' ' ' VAL . 8.5 mt -59.96 -64.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -42.92 -45.74 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.17 -52.79 64.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 49' ' ' LEU . 17.6 mt -51.43 -36.45 17.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.482 HD11 ' HB3' ' A' ' 85' ' ' LEU . 16.9 mt -77.19 -49.74 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -37.81 73.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -55.19 15.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.481 ' HB3' HG23 ' A' ' 23' ' ' ILE . 30.0 mm100 -65.78 -22.49 66.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.53 ' HA ' HG13 ' A' ' 60' ' ' ILE . 0.8 OUTLIER -75.65 -63.39 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.96 -22.25 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 57' ' ' LEU . 5.2 mm-40 -77.62 -31.92 53.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.53 HG13 ' HA ' ' A' ' 57' ' ' LEU . 2.5 mt -61.14 -51.2 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -60.94 -25.91 67.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.09 -42.67 69.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.1 t -54.48 114.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -75.76 152.07 37.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.4 p -113.51 -25.44 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.433 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 43.45 32.31 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.83 57.32 9.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' GLY . 25.7 mttm -129.07 90.38 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' LYS . . . -36.42 -56.3 1.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -40.0 -49.18 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.432 HD13 ' HB2' ' A' ' 16' ' ' SER . 96.6 mt -78.98 -57.66 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.92 -54.35 2.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -52.42 -62.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -48.65 -53.75 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -69.38 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -52.49 -27.02 14.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' GLN . 7.1 mtt-85 -75.14 -30.11 60.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -82.26 -35.65 27.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 83' ' ' GLU . . . -61.66 -28.4 69.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -78.85 -44.17 23.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.35 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.45 -47.52 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.724 ' OG1' HG11 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -59.12 -36.27 74.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 11.1 mm-40 -73.27 -44.94 58.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -59.75 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.632 ' CD1' HG22 ' A' ' 34' ' ' VAL . 3.3 mm? -50.23 -46.05 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.29 -31.55 33.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -81.9 -52.36 7.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -45.06 -38.7 5.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.577 ' HG ' ' CE2' ' A' ' 46' ' ' TYR . 27.8 tp -60.81 -63.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.352 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -40.21 -29.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 89' ' ' LEU . 22.1 tp60 -89.93 -57.93 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.266 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -49.79 -26.62 4.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.418 ' HB2' ' HE2' ' A' ' 46' ' ' TYR . . . -52.3 -78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.706 ' OG ' HD23 ' A' ' 40' ' ' LEU . 8.9 p -171.08 -41.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' SER . . . 36.94 -145.98 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.571 1.169 . . . . 0.0 111.047 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.33 14.7 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.3 m -157.81 134.67 9.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.7 p -126.43 111.5 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.043 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.149 . . . . 0.0 111.037 -179.99 . . . . . . . . 0 0 . 1 stop_ save_