data_1v5k_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 1v5k _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 ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -55.79 -51.3 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' TRP . 82.0 mmm -70.54 -52.05 24.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mt -41.02 -49.23 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -45.71 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' MET . 16.9 t90 -45.47 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.1 mp -53.04 -58.46 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' ILE . 45.2 m-20 -40.07 -44.85 1.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.83 55.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.495 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.2 m -151.66 -44.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.968 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -129.48 5.9 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.5 69.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -106.65 -156.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -173.24 45.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 mt -72.06 139.96 48.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 t -102.05 -28.23 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -128.78 167.67 16.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 97' ' ' ASN . 4.2 mm -76.26 -43.28 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.57 -25.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -51.11 -21.68 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.75 33.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.5 p -93.43 29.08 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.294 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 p -119.36 -61.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.77 49.19 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.435 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . . . -119.65 -53.71 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.4 -58.75 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -47.57 -58.49 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.2 m -43.26 -64.78 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -46.52 -50.75 16.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.495 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -52.65 -45.42 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.486 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 8.4 mmm -58.51 -61.22 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.03 -41.26 3.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -39.92 95.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 108' ' ' PHE . 89.4 mt -79.94 -62.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CD1' ' HE3' ' A' ' 78' ' ' MET . 83.1 m-85 -112.4 107.73 55.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.85 4.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.8 27.59 11.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.0 p -103.82 -33.57 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.486 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.0 OUTLIER -117.51 -176.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -120.35 64.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.457 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -47.2 -25.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.51 41.88 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -159.35 -44.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.572 HG12 ' CE1' ' A' ' 56' ' ' PHE . 6.9 p -47.55 149.15 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -99.6 102.1 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.572 ' CE1' HG12 ' A' ' 54' ' ' VAL . 3.5 m-30 -89.99 28.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -160.26 26.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.459 ' HB2' ' CB ' ' A' ' 63' ' ' GLU . . . -69.26 129.21 39.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -111.21 -29.05 8.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.51 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 4.7 mt -89.07 162.11 16.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -72.91 -57.4 4.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.51 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 9.4 p80 -37.72 -37.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.555 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.459 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -63.12 -57.73 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 14.2 m-30 -36.26 -56.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 mp -41.25 -62.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -44.65 -58.07 3.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -40.7 -51.35 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.5 ' CE1' HD12 ' A' ' 89' ' ' LEU . 58.7 m-85 -66.5 -44.17 83.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.75 -45.01 6.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.05 -57.08 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.573 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.7 tm? -47.07 -49.58 21.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.54 -38.0 42.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.34 -25.07 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -67.19 -17.5 68.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 4.9 m-30 -94.81 -51.89 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -14.79 48.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -84.15 -53.68 5.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.573 ' HE3' ' CD1' ' A' ' 45' ' ' PHE . 48.5 mmm -73.18 -62.56 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.91 57.32 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' A' ' 75' ' ' PHE . 62.9 t -108.64 111.41 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -73.88 65.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 38.9 tptt -145.0 121.84 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.3 mm -101.31 86.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.573 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 42.4 mt -42.15 142.09 1.26 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.98 -50.46 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 90' ' ' VAL . 95.7 t 66.61 -68.59 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -49.11 -23.63 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -94.84 -29.4 14.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.5 HD12 ' CE1' ' A' ' 68' ' ' PHE . 28.4 mt -79.68 -19.82 48.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 86' ' ' VAL . 24.1 m -100.69 13.5 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.42 -22.72 20.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 50.01 52.6 25.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.22 11.55 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' ASP . 22.9 t80 63.08 -179.18 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.406 ' HB3' ' O ' ' A' ' 94' ' ' PHE . 36.7 tt0 67.01 -64.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 94' ' ' PHE . 47.8 m-20 -57.51 -18.08 17.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.472 ' HB3' ' CG2' ' A' ' 28' ' ' ILE . 5.9 m-80 -95.17 -40.15 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.462 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 2.0 t80 -71.52 -43.86 65.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -70.11 -5.8 29.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.794 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 8.7 t80 -106.89 -47.1 3.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 98' ' ' PHE . 7.5 p -60.52 -44.75 97.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 1.4 pp0? -50.15 -46.02 53.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.574 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 76.8 t90 -63.84 -64.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.794 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -37.29 -48.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -58.86 -60.64 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.87 -58.36 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -55.96 -58.44 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.47 ' CD2' HD11 ' A' ' 44' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.5 m170 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -59.78 -54.89 40.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' TRP . 75.3 mmm -65.63 -54.36 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mt -39.99 -46.51 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -63.74 -48.22 77.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.521 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 30.3 t90 -43.08 -68.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 108.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.1 -60.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' LEU . 71.7 m-20 -42.6 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -38.89 -67.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLU . 61.6 m -39.28 -38.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 18' ' ' ASN . 43.0 mt -114.11 -131.0 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -145.68 41.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 23' ' ' LEU . 3.0 mm? -93.53 -168.61 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.418 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 57.9 t-20 -171.21 43.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.403 ' CD2' ' HB3' ' A' ' 30' ' ' GLN . 34.6 mt -66.57 153.02 44.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.1 p -117.41 -14.12 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -132.23 142.62 49.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.7 mm -65.51 -14.56 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -79.95 -8.1 59.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.403 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 4.6 mm-40 -70.19 -13.22 62.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.29 29.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 31.4 p -91.92 16.06 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 p -104.36 -57.04 2.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.64 48.53 1.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.514 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -117.14 -54.13 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.47 -65.03 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -40.56 -56.41 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.435 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.1 m -45.65 -59.35 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.63 -62.29 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.18 -53.61 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.486 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 18.2 mmm -48.27 -64.33 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.87 -41.81 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.358 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -62.9 -42.23 99.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 108' ' ' PHE . 86.8 mt -77.5 -58.42 3.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -110.67 110.56 57.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 111.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.21 42.34 5.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.1 p -113.88 -33.78 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.486 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -114.47 -174.21 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -122.14 60.67 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mt -47.01 -24.71 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.71 39.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -157.98 -45.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.573 HG11 ' CE1' ' A' ' 56' ' ' PHE . 4.3 p -46.02 156.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -105.96 97.92 7.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE1' HG11 ' A' ' 54' ' ' VAL . 3.6 m-85 -88.48 21.68 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -155.8 34.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.17 135.37 38.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -117.07 -7.94 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' O ' ' CE1' ' A' ' 64' ' ' TYR . 5.9 mt -110.49 161.88 15.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.57 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -77.01 -55.86 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.452 ' CE1' ' OE2' ' A' ' 63' ' ' GLU . 10.7 p80 -38.06 -32.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.452 ' OE2' ' CE1' ' A' ' 62' ' ' HIS . 2.5 mm-40 -70.46 -58.58 3.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.57 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 13.1 m-30 -34.21 -48.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.483 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 1.9 mp -45.73 -66.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 67' ' ' ASN . 8.5 mt-30 -43.09 -56.81 3.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' GLN . 1.3 m-20 -39.01 -55.11 1.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.582 ' CD2' HG12 ' A' ' 86' ' ' VAL . 36.1 m-85 -63.44 -46.45 86.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -41.47 -46.54 3.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.1 mt -64.61 -57.22 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.557 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -49.16 -52.41 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -33.66 10.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.47 69.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -57.4 -25.26 54.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.511 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.6 m-30 -85.13 -53.83 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -20.1 7.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -76.98 -59.76 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.45 -54.03 34.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.78 55.3 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.7 t -121.7 103.03 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -84.1 67.01 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 36.4 tptt -120.37 122.87 41.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.5 mp -79.31 114.3 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.557 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 14.6 mt -84.73 121.85 74.65 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -74.96 66.35 5.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.582 HG12 ' CD2' ' A' ' 68' ' ' PHE . 34.6 t -63.94 -64.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' VAL . 27.4 t70 -38.58 -31.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 91' ' ' LYS . 33.3 mtpt -89.78 -59.71 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 76.2 mt -44.96 -45.98 10.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.474 HG11 ' CG1' ' A' ' 86' ' ' VAL . 32.7 m -62.25 -35.43 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 88' ' ' LYS . 14.5 mtmt -75.93 -16.99 59.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 63.52 75.79 0.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 95' ' ' GLN . 9.7 mmmt -92.15 12.64 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ASN . 45.3 t80 56.15 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -44.54 -63.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -23.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.446 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -84.54 -38.73 19.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' GLN . 3.1 t80 -77.58 -32.71 53.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -80.92 -11.41 59.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.809 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.9 t80 -99.48 -32.9 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.06 -41.23 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 2.3 pt20 -58.47 -26.07 62.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.568 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 38.6 t90 -84.11 -48.21 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.809 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -54.33 -27.73 37.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.521 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 3.3 tmtt? -82.87 -55.27 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -48.04 -54.64 12.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -56.98 -50.6 72.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 104' ' ' PHE . 1.8 m-85 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.2 m80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -57.18 -40.09 76.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.467 ' CE ' ' HD3' ' A' ' 105' ' ' LYS . 41.4 mmm -81.47 -53.27 6.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.2 mt -42.0 -42.11 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.29 -47.11 83.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 29.1 t90 -46.35 -63.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.3 mp -60.06 -60.8 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' ILE . 39.4 m-20 -38.4 -46.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.41 58.64 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.45 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 59.8 m -156.45 -44.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -126.35 1.93 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 74.58 60.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -99.19 -156.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -176.13 55.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.7 mt -75.57 146.89 40.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.6 p -113.73 -20.9 10.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -137.79 149.51 46.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.431 HG22 ' CA ' ' A' ' 98' ' ' PHE . 3.8 mm -63.09 -16.35 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.92 -3.93 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -73.18 -8.09 54.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.57 24.34 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.4 p -80.05 -14.34 58.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 108.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -79.17 -53.9 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.75 44.66 4.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.563 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . . . -112.4 -49.26 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.35 -49.93 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -55.27 -50.86 68.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.437 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.2 m -49.87 -62.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.348 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.41 ' NE2' HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -48.56 -52.63 21.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.45 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -51.92 -44.11 63.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.488 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 6.6 mmm -58.77 -62.17 2.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.11 -42.53 4.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.01 -39.33 91.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.554 HD13 ' CE2' ' A' ' 108' ' ' PHE . 98.3 mt -79.83 -58.79 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CD1' ' HE2' ' A' ' 78' ' ' MET . 78.1 m-85 -116.26 108.0 46.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 111.08 3.24 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.76 24.96 8.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.0 p -100.54 -34.8 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.048 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.488 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.0 OUTLIER -117.11 -178.14 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -117.3 60.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -40.66 -29.46 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -89.19 44.85 1.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' ALA . 5.2 ttmt -161.03 -43.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.589 HG12 ' CE1' ' A' ' 56' ' ' PHE . 11.0 p -49.59 150.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 13.7 mmtt -108.5 90.23 3.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.589 ' CE1' HG12 ' A' ' 54' ' ' VAL . 6.5 m-30 -70.05 -34.31 73.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -95.43 43.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.49 129.15 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -113.55 -32.07 6.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.571 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.83 157.56 25.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -69.52 -53.69 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 17.1 p80 -39.66 -37.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.609 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.478 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 1.0 OUTLIER -63.79 -57.65 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 9.1 m-30 -39.6 -42.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.467 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 1.9 mp -52.96 -68.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' ASN . 5.2 mt-30 -45.17 -53.39 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.352 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.9 m-20 -39.21 -50.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.467 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 22.7 m-85 -69.55 -49.12 57.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -40.59 -43.41 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 94.0 mt -67.64 -56.21 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.531 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -48.4 -50.74 29.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -48.55 -37.36 17.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.68 71.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -62.5 -22.59 63.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.482 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.2 m-30 -89.5 -51.9 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -14.86 53.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -83.75 -51.08 7.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.564 ' HE2' ' CD1' ' A' ' 45' ' ' PHE . 74.4 mmm -76.47 -52.94 8.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.67 62.35 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.0 t -130.75 97.43 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.75 66.49 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.572 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 41.7 tptt -114.43 134.91 54.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.5 mm -90.24 112.03 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 29.7 mt -86.89 118.37 69.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -74.97 65.19 6.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 65' ' ' ILE . 45.6 t -60.91 -67.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 86' ' ' VAL . 19.1 t0 -35.75 -36.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.3 mtpp -84.44 -60.93 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 77.1 mt -43.54 -50.58 7.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.458 HG13 ' CG1' ' A' ' 86' ' ' VAL . 30.0 m -58.77 -36.9 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' LYS . 3.8 mmtt -69.45 -21.66 63.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.79 79.23 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -97.85 -3.0 39.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 t80 67.88 -62.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' LYS . 6.0 tt0 -61.69 -48.93 78.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.85 -11.83 49.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.436 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -93.61 -36.17 12.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.431 ' CA ' HG22 ' A' ' 28' ' ' ILE . 2.1 t80 -77.15 -43.09 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -72.1 -13.6 61.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.803 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 19.0 t80 -92.88 -46.73 7.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.442 ' CG2' ' HE2' ' A' ' 13' ' ' MET . 11.5 p -63.56 -53.43 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 7.2 pt20 -44.16 -26.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 46.1 t90 -83.22 -50.65 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 108.0 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.803 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -50.71 -43.21 57.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.535 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 5.5 tttm -62.92 -57.17 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -46.29 -58.49 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -52.27 -55.57 20.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.554 ' CE2' HD13 ' A' ' 44' ' ' LEU . 2.1 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 43.7 t60 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.93 -37.76 85.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.471 ' CE ' ' HD3' ' A' ' 105' ' ' LYS . 45.7 mmm -87.11 -45.61 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.459 ' CD2' HD11 ' A' ' 28' ' ' ILE . 5.1 mt -51.11 -43.89 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.57 98.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.456 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 20.6 t90 -47.53 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.476 HG23 ' CD2' ' A' ' 23' ' ' LEU . 2.6 mp -50.75 -56.22 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -42.06 -46.75 4.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.06 56.02 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -153.23 -44.15 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -130.14 8.28 5.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 66.68 68.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.476 ' CD2' HG23 ' A' ' 17' ' ' ILE . 1.2 mm? -102.99 -157.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -177.28 65.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.9 mt -96.01 148.94 22.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -115.18 -16.14 11.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -134.96 143.88 47.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.459 HD11 ' CD2' ' A' ' 14' ' ' LEU . 2.8 mm -64.33 -17.05 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.61 1.52 25.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -80.47 -4.02 52.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.46 32.26 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.56 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 13.8 p -93.67 32.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -117.4 -64.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.85 43.41 1.54 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.0 -52.36 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.736 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.09 -58.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.41 ' CE1' ' HE1' ' A' ' 100' ' ' PHE . 45.1 m-85 -48.82 -60.52 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 m -42.04 -65.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.246 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.459 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -43.59 -44.55 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -46.12 88.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 45' ' ' PHE . 18.1 mmm -58.27 -62.71 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' MET . 2.3 t70 -39.53 -39.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtp -68.38 -46.76 69.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' MET . 52.8 mt -77.18 -65.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' MET . 74.7 m-85 -100.58 108.01 51.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 134.02 17.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.87 39.92 96.89 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.2 p -112.66 -30.88 6.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 0.776 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.489 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.2 OUTLIER -113.91 -166.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 53' ' ' LYS . . . -129.58 56.22 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.533 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -40.69 -29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -89.11 42.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' ALA . 7.0 ttmt -158.27 -46.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.554 HG12 ' CE1' ' A' ' 56' ' ' PHE . 5.6 p -46.39 158.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.47 104.39 13.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.554 ' CE1' HG12 ' A' ' 54' ' ' VAL . 4.5 m-30 -91.64 27.51 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -156.93 24.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.55 123.92 20.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 -8.2 14.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.571 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 8.0 mt -113.55 162.95 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.559 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.5 tt0 -70.28 -56.11 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 10.4 p80 -39.67 -37.0 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.14 -59.76 4.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 32' ' ' CYS . 12.9 m-30 -37.74 -48.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.419 ' N ' HG11 ' A' ' 90' ' ' VAL . 1.2 mp -46.8 -66.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -44.64 -54.5 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.91 -49.1 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.467 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 28.2 m-85 -70.1 -45.36 67.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.67 -44.86 6.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 98.0 mt -65.49 -55.13 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 0.9 OUTLIER -45.68 -58.47 3.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -38.32 -56.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.24 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -38.63 -45.5 1.99 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.2 m-30 -65.18 -55.54 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.52 58.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -159.67 -44.33 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.9 mmm -92.67 -61.87 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 163.21 66.07 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.514 HG12 ' CZ ' ' A' ' 107' ' ' PHE . 6.4 t -140.99 116.27 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.8 68.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.575 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 44.5 tptt -122.15 134.54 54.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.1 mm -97.1 103.79 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.539 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 37.9 mt -69.81 143.03 91.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.99 -58.18 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 67.7 t 64.52 -76.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' PRO . 57.1 t0 -45.69 -25.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 86' ' ' VAL . 4.8 mtpp -89.72 -38.27 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.459 HD12 ' CE1' ' A' ' 68' ' ' PHE . 15.0 mt -69.13 -52.69 25.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 65' ' ' ILE . 19.4 m -59.13 -16.41 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -91.31 -10.41 41.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 46.75 75.74 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.2 OUTLIER -102.92 7.55 39.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.472 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 61.8 t80 63.61 -65.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 93' ' ' LYS . 6.7 tm0? -51.03 -61.33 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.57 -10.8 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -88.7 -30.94 18.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' PHE . 4.0 t80 -95.91 -36.06 11.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -72.38 -4.3 29.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.799 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 14.8 t80 -102.74 -43.19 5.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 102' ' ' GLN . 14.2 p -66.02 -54.96 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 103' ' ' TRP . 0.0 OUTLIER -40.38 -47.45 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.247 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.575 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 61.4 t90 -62.09 -55.53 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 108.042 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.799 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -45.6 -56.61 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.471 ' HD3' ' CE ' ' A' ' 13' ' ' MET . 17.4 tttm -50.93 -61.8 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.33 -56.63 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.514 ' CZ ' HG12 ' A' ' 80' ' ' VAL . 64.2 t80 -56.8 -55.4 34.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -94.22 -32.86 13.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 102' ' ' GLN . 33.9 mmm -90.5 -35.45 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.39 -43.58 44.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.32 82.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.544 ' CZ2' ' CZ ' ' A' ' 40' ' ' PHE . 38.4 t90 -45.44 -59.23 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.3 mp -61.91 -61.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' ILE . 56.7 m-20 -39.19 -42.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.33 61.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.4 m -161.71 -43.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 39' ' ' GLN . 0.8 OUTLIER -125.55 2.42 7.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 71.26 60.99 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -98.62 -157.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -176.02 56.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.422 ' CD1' HD21 ' A' ' 31' ' ' LEU . 40.8 mt -80.43 148.41 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -111.57 -17.32 13.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -140.65 162.38 35.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.417 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 4.5 mm -74.37 -26.39 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -13.47 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -62.94 -14.17 43.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -94.09 30.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.482 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 26.4 p -94.12 31.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.273 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 p -123.22 -61.0 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.77 52.66 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.042 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.53 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . . . -123.93 -53.85 1.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.88 -56.1 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -50.48 -59.08 4.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.419 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.3 m -43.09 -61.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.451 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -47.92 -47.51 32.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.544 ' CZ ' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -58.29 -40.21 81.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.507 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 15.9 mmm -63.44 -56.63 14.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -48.06 -42.22 28.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -24.07 66.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.549 HD11 ' CE2' ' A' ' 108' ' ' PHE . 55.2 mt -96.75 -57.17 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.417 ' CD2' ' CE ' ' A' ' 78' ' ' MET . 57.9 m-85 -121.94 109.2 34.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.32 3.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.16 -20.88 20.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.9 p -56.17 -35.24 66.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.507 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.0 OUTLIER -118.89 -167.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.56 68.31 1.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.501 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -49.63 -23.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HA ' ' CE ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -91.8 42.43 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -160.08 -44.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.562 HG13 ' CE1' ' A' ' 56' ' ' PHE . 7.4 p -48.79 154.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -104.62 101.81 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.562 ' CE1' HG13 ' A' ' 54' ' ' VAL . 3.4 m-30 -90.52 27.66 1.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -157.15 24.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.45 ' HB3' ' CB ' ' A' ' 63' ' ' GLU . . . -67.02 124.98 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -109.49 -16.2 14.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.493 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 5.3 mt -100.87 162.23 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.546 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -74.67 -55.13 6.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 11.4 p80 -39.31 -34.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.45 ' CB ' ' HB3' ' A' ' 58' ' ' ALA . 1.8 mm-40 -68.21 -55.32 12.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.546 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 13.4 m-30 -38.02 -43.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.426 ' N ' HG12 ' A' ' 90' ' ' VAL . 2.0 mp -54.3 -69.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -40.19 -54.93 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -43.1 -53.13 5.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.462 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 26.0 m-85 -65.57 -42.7 91.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -45.25 -46.08 12.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.63 -56.72 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.581 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -49.25 -48.77 45.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.4 -33.75 4.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.02 -37.86 75.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -52.63 -20.19 7.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.486 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 4.9 m-30 -89.5 -64.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.98 -22.42 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -77.56 -37.73 50.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.417 ' CE ' ' CD2' ' A' ' 45' ' ' PHE . 3.9 mmt -88.33 -51.55 5.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.44 56.77 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.444 HG13 ' CD2' ' A' ' 75' ' ' PHE . 79.5 t -112.63 118.21 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -82.25 64.35 6.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 22.6 tptt -138.03 120.62 16.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.2 mm -94.52 85.82 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.581 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 42.1 mt -43.25 142.82 1.52 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.504 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.96 -56.55 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 89' ' ' LEU . 65.5 t 64.36 -77.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -44.39 -26.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 86' ' ' VAL . 6.9 mtpp -89.3 -39.64 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' VAL . 15.3 mt -68.73 -51.99 35.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' VAL . 26.5 m -58.66 -16.71 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' GLY . 21.8 mtmt -92.1 22.93 4.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' LYS . . . 37.77 52.56 1.96 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 97' ' ' ASN . 6.8 mtmt -97.78 82.23 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 93' ' ' LYS . 61.9 t80 -37.54 -46.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.0 84.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -86.05 4.08 39.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -105.33 -31.11 9.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.4 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 2.6 t80 -90.29 -36.45 14.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.01 -7.48 53.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 4.3 t80 -102.9 -37.42 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 98' ' ' PHE . 9.3 p -74.41 -39.59 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.453 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 1.7 pt20 -55.38 -26.73 43.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 33.8 t90 -84.46 -50.91 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.802 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -45.35 -55.61 5.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -52.7 -55.28 23.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.1 -63.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -50.47 -54.25 23.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.549 ' CE2' HD11 ' A' ' 44' ' ' LEU . 2.0 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.2 m170 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -54.87 -43.87 73.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 65.5 mmm -78.08 -52.01 9.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 28' ' ' ILE . 4.1 mt -47.23 -41.76 19.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -66.0 -42.69 89.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.486 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 20.2 t90 -44.93 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.3 mp -50.61 -58.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' ILE . 78.9 m-20 -39.73 -44.89 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -97.3 61.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -159.19 -46.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -124.47 -0.21 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.91 68.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -108.28 -156.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -178.14 53.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.6 mt -82.52 147.2 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.0 p -112.03 -20.44 11.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -128.86 133.56 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.466 HD13 ' CD2' ' A' ' 14' ' ' LEU . 4.4 mm -54.07 -28.77 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -13.26 29.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -61.49 -15.93 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.268 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.17 23.97 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.0 p -70.89 -23.69 62.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 108.325 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -72.43 -52.86 14.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.61 53.07 2.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.408 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -119.6 -48.06 2.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.73 -48.56 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -55.8 -52.02 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.446 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.0 OUTLIER -49.82 -61.45 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 108.341 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.466 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -48.08 -54.35 13.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.408 ' N ' HD23 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -48.88 -46.9 43.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.494 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 12.3 mmm -57.33 -63.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.23 -31.29 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.13 -34.59 66.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 108' ' ' PHE . 92.6 mt -88.29 -57.73 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CD2' ' HE3' ' A' ' 78' ' ' MET . 40.8 m-85 -114.6 105.36 53.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.61 5.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.52 25.51 13.58 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.485 1.115 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.7 p -104.81 -32.71 8.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 0.791 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.494 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -117.6 -167.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -131.31 64.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.486 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 1.7 mt -46.59 -25.25 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.61 42.57 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -159.47 -44.95 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.575 HG11 ' CE1' ' A' ' 56' ' ' PHE . 7.7 p -47.94 151.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -103.28 104.61 14.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CE1' HG11 ' A' ' 54' ' ' VAL . 4.5 m-30 -92.02 16.69 10.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -145.14 23.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.453 ' HB1' ' CB ' ' A' ' 63' ' ' GLU . . . -67.78 126.35 29.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -18.47 12.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 6.7 mt -99.18 162.88 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.8 tt0 -74.29 -55.15 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 11.3 p80 -39.51 -33.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' CB ' ' HB1' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -69.4 -56.1 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 12.7 m-30 -37.17 -49.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.42 ' N ' HG12 ' A' ' 90' ' ' VAL . 1.6 mp -47.61 -61.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -45.3 -55.7 5.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -41.37 -51.29 3.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.464 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 44.0 m-85 -67.17 -46.02 75.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -42.25 -46.94 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 94.7 mt -65.51 -57.06 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.8 tm? -46.6 -54.83 8.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.54 -58.87 2.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.78 -33.83 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -54.23 -34.52 53.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.564 ' CD2' HG11 ' A' ' 80' ' ' VAL . 6.5 m-30 -77.27 -46.68 22.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -19.52 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -79.46 -46.71 16.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.553 ' HE3' ' CD2' ' A' ' 45' ' ' PHE . 60.5 mmm -81.64 -66.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 146.53 56.84 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.564 HG11 ' CD2' ' A' ' 75' ' ' PHE . 96.3 t -109.7 111.24 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.87 69.2 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 48.7 tptt -142.09 122.16 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.5 mt -99.48 87.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.569 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 22.2 mt -48.38 139.75 10.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.02 -51.76 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 95.2 t 65.94 -71.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 1.8 t0 -48.27 -23.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 86' ' ' VAL . 22.4 mtpt -90.97 -35.78 14.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' VAL . 24.3 mt -74.28 -54.76 7.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 86' ' ' VAL . 22.7 m -56.34 -18.57 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 12.7 mmmt -77.43 -14.84 59.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.28 35.58 37.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.39 93.57 8.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -45.62 -44.95 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.89 -60.78 3.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -57.35 -18.04 15.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -87.47 -49.55 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.416 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 38.1 t80 -65.26 -33.28 75.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -80.25 -8.81 59.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.803 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.2 t80 -104.69 -27.28 11.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.416 ' CG1' ' HA ' ' A' ' 98' ' ' PHE . 14.2 p -80.62 -47.09 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -21.37 3.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 64.9 t90 -90.45 -58.21 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.03 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.803 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -43.1 -33.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.486 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 4.5 tmtt? -75.57 -50.87 14.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.08 -58.31 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -54.44 -47.89 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.5 ' CE2' HD11 ' A' ' 44' ' ' LEU . 2.1 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -56.08 -52.18 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 16' ' ' TRP . 74.7 mmm -73.53 -53.23 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' A' ' 26' ' ' THR . 5.0 mt -39.62 -46.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.214 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -65.08 -46.85 79.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.561 ' CH2' ' HA ' ' A' ' 105' ' ' LYS . 29.9 t90 -44.15 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mp -50.52 -59.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 24' ' ' ASN . 86.4 m-20 -43.41 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -40.7 -68.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 40' ' ' PHE . 66.9 m -38.28 -38.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 54.4 mt -114.52 -130.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -145.68 43.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 23' ' ' LEU . 2.9 mm? -99.84 -167.77 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 26.5 t30 -166.8 39.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.9 mt -57.44 143.6 39.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.438 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.5 t -102.75 -26.1 13.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -127.86 163.87 23.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.453 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 2.4 mm -74.68 -32.05 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -15.29 22.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -61.92 -13.99 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -91.9 29.2 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.3 p -92.86 19.28 7.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 108.279 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 p -110.21 -59.0 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.01 47.77 2.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.564 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -118.48 -54.3 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.82 -58.42 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -45.89 -50.34 14.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.442 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -50.02 -54.4 20.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 108.276 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -51.66 -58.61 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -44.01 -48.76 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.489 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 24.1 mmm -55.95 -60.09 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.83 -43.42 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.8 ttp -61.33 -37.26 82.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.543 HD11 ' CE2' ' A' ' 108' ' ' PHE . 52.6 mt -84.17 -67.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' MET . 35.2 m-85 -111.15 105.93 57.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 121.67 6.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.91 -21.53 37.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.3 p -58.22 -31.79 67.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.489 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -117.92 -171.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -128.63 61.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.414 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -43.33 -27.32 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.32 42.4 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' ALA . 15.2 ttpt -160.88 -44.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.567 HG11 ' CE1' ' A' ' 56' ' ' PHE . 6.7 p -47.31 146.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -103.89 93.17 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CE1' HG11 ' A' ' 54' ' ' VAL . 4.0 m-30 -73.16 -34.93 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.02 40.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.475 ' HB3' ' CB ' ' A' ' 63' ' ' GLU . . . -86.39 131.38 34.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.88 -30.96 5.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.86 153.42 27.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -66.51 -56.7 9.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 13.4 p80 -37.72 -38.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.593 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -62.09 -59.61 4.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 12.2 m-30 -38.05 -50.81 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.448 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 3.4 mp -42.84 -63.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ASN . 9.2 mt-30 -51.77 -55.09 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 66' ' ' GLN . 1.5 m-20 -37.65 -46.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.462 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 37.3 m-85 -72.57 -47.04 51.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -41.39 -42.47 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.25 -55.62 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.9 tm? -51.96 -54.36 30.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.91 -40.18 13.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.18 -33.47 75.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -54.35 -31.51 50.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.477 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.3 m-30 -77.78 -53.77 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -26.13 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -72.56 -45.0 61.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.5 mmt -82.0 -56.36 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 75' ' ' PHE . . . 138.9 56.92 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.41 HG13 ' CD2' ' A' ' 75' ' ' PHE . 76.6 t -124.97 101.17 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.96 65.3 6.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 45.6 tptt -116.71 121.3 41.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.6 mm -78.91 114.8 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.541 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 16.8 mt -87.14 122.09 71.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.04 65.93 6.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.526 1.803 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.478 ' CG1' HG13 ' A' ' 90' ' ' VAL . 55.9 t -63.08 -64.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -38.91 -30.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.0 mtpp -90.45 -60.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 81.3 mt -44.21 -45.17 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.478 HG13 ' CG1' ' A' ' 86' ' ' VAL . 31.6 m -63.84 -36.18 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 88' ' ' LYS . 13.8 mttp -66.33 -24.78 66.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.42 100.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.81 27.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 96' ' ' ASP . 39.4 t80 53.08 177.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.424 ' N ' ' CD2' ' A' ' 94' ' ' PHE . 0.3 OUTLIER 65.56 -69.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.4 m-20 -61.64 -16.27 47.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.436 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 1.6 m-80 -90.43 -37.1 14.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.41 ' CA ' HG23 ' A' ' 28' ' ' ILE . 1.8 t80 -80.42 -40.97 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.07 -7.53 36.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.816 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 13.8 t80 -100.3 -50.1 4.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.7 p -58.8 -55.62 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 1.4 pp0? -39.54 -47.82 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 64.9 t90 -62.43 -55.77 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.816 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -46.82 -51.63 16.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.561 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 3.6 tmtt? -55.21 -64.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.56 -55.4 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -55.01 -50.23 69.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.543 ' CE2' HD11 ' A' ' 44' ' ' LEU . 1.5 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.77 -54.95 40.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 16' ' ' TRP . 78.1 mmm -66.34 -52.46 46.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 14' ' ' LEU . 5.1 mt -43.55 -42.96 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.74 91.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.522 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 42.4 t90 -49.73 -48.93 49.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.9 mp -74.22 -62.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 26.3 m-20 -40.42 -60.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.414 ' O ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -79.95 53.31 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 19' ' ' GLU . 58.5 m -172.25 -40.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 39' ' ' GLN . 80.5 mt -115.71 -1.01 12.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 23' ' ' LEU . 2.2 mt-30 65.76 11.22 7.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -53.48 -172.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -158.41 72.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HB3' ' CB ' ' A' ' 30' ' ' GLN . 16.2 mt -112.68 141.52 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 t -101.62 -27.84 12.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -121.89 165.34 16.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.9 mm -75.63 -38.81 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.03 -20.01 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 10.4 mm-40 -58.56 -17.02 18.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.59 29.72 1.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.481 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 30.8 p -93.47 20.53 7.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p -108.47 -61.97 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.6 48.72 1.01 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.535 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -119.23 -54.88 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.65 -63.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -41.27 -55.29 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.445 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.1 m -46.11 -60.19 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.462 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.39 -59.07 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.495 ' CE2' ' CZ3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -44.16 -53.4 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.492 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 22.5 mmm -52.49 -61.18 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' MET . 1.2 t70 -39.63 -43.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 ttm -62.62 -47.39 83.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 108' ' ' PHE . 83.0 mt -72.27 -64.79 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' MET . 53.0 m-85 -115.88 103.72 53.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.43 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.55 -27.54 12.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.2 p -55.36 -29.88 59.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 0.756 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.492 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -118.81 -170.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.9 67.55 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.514 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -50.18 -22.84 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.78 39.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -157.85 -45.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.554 HG11 ' CE1' ' A' ' 56' ' ' PHE . 5.6 p -46.09 153.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -102.73 99.05 8.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.554 ' CE1' HG11 ' A' ' 54' ' ' VAL . 3.1 m-85 -88.54 32.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -168.03 30.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.233 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.76 132.71 41.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.51 -31.38 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.52 155.34 23.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -67.82 -54.02 22.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 16.2 p80 -39.81 -36.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.467 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 0.4 OUTLIER -64.23 -53.43 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.481 ' CD2' ' O ' ' A' ' 32' ' ' CYS . 8.7 m-30 -43.55 -41.35 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.437 ' N ' HG12 ' A' ' 90' ' ' VAL . 1.1 mp -56.5 -69.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -42.47 -52.96 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -42.71 -51.9 5.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.47 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 23.5 m-85 -66.96 -44.0 81.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -44.0 -44.07 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.9 mt -66.2 -57.86 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.8 tm? -48.9 -46.89 43.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.3 -46.38 25.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.99 66.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -58.72 -20.5 47.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.49 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.3 m-30 -94.18 -58.13 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.95 -28.52 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 72.7 mtt-85 -72.75 -39.39 66.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.9 mmt -85.61 -67.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 147.91 52.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.471 HG11 ' CD2' ' A' ' 75' ' ' PHE . 51.4 t -108.29 119.71 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.48 66.86 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 23.1 tptt -141.08 111.5 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.4 mm -90.2 84.64 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.569 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 59.3 mt -41.94 139.83 1.6 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.02 -52.51 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 98.7 t 65.31 -73.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 43.4 t0 -45.4 -25.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 86' ' ' VAL . 3.5 mtpp -88.83 -39.12 14.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' VAL . 14.9 mt -70.43 -55.71 8.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 65' ' ' ILE . 24.1 m -54.65 -30.08 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 8.1 mmmt -72.9 -23.26 60.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.04 70.7 1.02 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -102.46 12.63 36.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 97' ' ' ASN . 46.9 t80 57.51 -80.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' LYS . 54.7 tt0 -46.3 -55.52 7.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -52.79 -21.14 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -91.47 -56.5 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.423 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 2.6 t80 -57.04 -39.09 74.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.422 ' HG3' ' CG ' ' A' ' 95' ' ' GLN . 30.7 mm-40 -76.03 -4.75 43.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.0 t80 -108.1 -32.87 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 98' ' ' PHE . 14.5 p -76.99 -44.06 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.6 pt20 -55.98 -23.37 32.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 28.2 t90 -87.81 -44.23 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.044 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -56.6 -25.56 53.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.522 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 5.2 tmtt? -85.24 -54.12 4.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -51.75 25.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -56.41 -54.94 39.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.545 ' CD2' HD12 ' A' ' 44' ' ' LEU . 1.7 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -54.83 -52.29 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' TRP . 85.5 mmm -70.5 -53.25 16.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.454 ' CD2' HD12 ' A' ' 28' ' ' ILE . 4.1 mt -42.53 -42.45 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.16 90.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.524 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 26.7 t90 -46.16 -77.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -46.95 -53.91 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -43.9 -46.3 7.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.63 59.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 16' ' ' TRP . 3.1 m -157.37 -44.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.963 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 1.3 mt -128.99 4.36 5.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 70.39 71.71 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -107.24 -159.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -176.9 68.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.0 mt -98.0 145.09 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.461 ' CG2' ' HG3' ' A' ' 27' ' ' LYS . 9.5 t -105.89 -21.88 13.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG3' ' CG2' ' A' ' 26' ' ' THR . 45.1 mtpt -128.96 158.4 38.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 14' ' ' LEU . 3.2 mm -74.62 -28.92 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -66.57 -9.88 39.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -66.31 -10.7 45.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.437 ' CD1' ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -93.44 27.14 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.5 p -94.47 32.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 108.336 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 p -116.87 -49.81 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.13 49.05 3.62 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.483 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -123.74 -57.31 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -38.58 -56.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -49.64 -56.82 8.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 41' ' ' MET . 1.3 m -44.78 -68.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -41.0 -53.26 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -49.21 58.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.475 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 14.7 mmm -54.34 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -44.02 -33.08 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -72.38 -40.19 67.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 108' ' ' PHE . 94.2 mt -83.98 -64.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' MET . 82.9 m-85 -101.78 109.82 60.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.3 7.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.08 40.45 13.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.2 p -112.6 -34.1 5.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 41' ' ' MET . 0.0 OUTLIER -120.65 -176.99 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -122.25 66.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.413 HD22 ' CZ ' ' A' ' 56' ' ' PHE . 1.3 mt -46.4 -25.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' CD ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.47 41.43 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -160.58 -44.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.547 HG12 ' CE1' ' A' ' 56' ' ' PHE . 5.8 p -47.15 153.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -104.09 100.6 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.547 ' CE1' HG12 ' A' ' 54' ' ' VAL . 3.1 m-85 -89.76 36.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -172.09 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.07 131.4 43.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.48 -7.09 11.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 6.9 mt -114.66 154.42 28.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 mt-10 -65.41 -54.23 31.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 17.7 p80 -39.75 -33.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.618 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.445 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 0.4 OUTLIER -68.87 -60.22 2.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 14.2 m-30 -37.01 -42.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.455 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 1.1 mp -53.33 -72.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' ASN . 15.9 mt-30 -42.33 -54.11 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' GLN . 3.0 m-20 -39.92 -53.36 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.477 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 14.0 m-85 -66.49 -45.17 80.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -42.89 -43.98 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.0 mt -66.54 -55.21 19.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.537 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -50.42 -52.44 37.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.415 ' NE2' HG13 ' A' ' 84' ' ' ILE . 2.5 tp60 -50.71 -37.98 44.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.92 -22.66 66.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -71.19 -17.53 75.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.547 ' CD2' HG11 ' A' ' 80' ' ' VAL . 6.2 m-30 -89.65 -49.27 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -36.57 82.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -56.84 -50.68 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.4 mmm -79.42 -66.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 156.83 65.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.547 HG11 ' CD2' ' A' ' 75' ' ' PHE . 78.1 t -135.28 113.38 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -95.49 67.0 2.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 43.4 tptt -117.1 123.91 47.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.8 mm -79.15 109.82 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.537 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 17.9 mt -83.49 118.63 72.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -75.03 65.91 6.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.479 ' CG1' HG12 ' A' ' 90' ' ' VAL . 39.2 t -64.24 -63.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' VAL . 43.6 t0 -39.32 -30.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 91' ' ' LYS . 24.5 mtpt -90.96 -59.49 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 73.5 mt -44.32 -42.97 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.479 HG12 ' CG1' ' A' ' 86' ' ' VAL . 35.3 m -68.19 -35.41 71.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 88' ' ' LYS . 9.2 mtpt -71.96 -15.14 62.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.3 64.31 2.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 96' ' ' ASP . 14.7 mmtt -99.52 84.26 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -37.88 -34.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.461 ' CG ' ' OE2' ' A' ' 99' ' ' GLU . 27.8 tt0 -70.12 -50.29 42.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.448 ' OD2' ' CB ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -85.21 9.71 14.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.455 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 1.4 m-80 -107.51 -31.5 8.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -94.69 -32.66 13.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.461 ' OE2' ' CG ' ' A' ' 95' ' ' GLN . 41.9 mt-10 -80.7 -11.13 59.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.806 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 1.3 t80 -97.22 -33.48 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.4 p -77.02 -36.96 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 9.8 pt20 -60.8 -29.29 69.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 21.9 t90 -82.17 -45.69 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 107.988 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.806 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -52.53 -44.27 65.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.524 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 13.1 tttt -61.96 -60.42 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -60.23 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -53.4 -46.43 69.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.571 ' CE2' HD12 ' A' ' 44' ' ' LEU . 2.2 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.442 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -53.57 -60.28 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 16' ' ' TRP . 82.5 mmm -63.15 -54.19 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt -40.82 -44.76 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.79 -49.62 77.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 38.5 t90 -46.35 -59.81 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.04 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.489 ' CG2' HD22 ' A' ' 23' ' ' LEU . 3.5 mp -61.19 -59.91 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -40.28 -45.22 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 55.12 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -155.98 -44.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -131.32 7.86 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 64.9 46.72 2.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.259 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.5 ' CD2' ' HB2' ' A' ' 21' ' ' LEU . 1.9 mm? -67.23 -177.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.5 54.16 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.1 mt -99.18 145.46 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p -113.87 -22.59 10.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.438 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -127.62 165.85 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.415 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 5.7 mm -74.93 -31.72 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -18.15 57.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -60.42 -15.2 24.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -93.06 28.74 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.43 -2.28 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 p -85.5 -63.3 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.7 45.56 1.63 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.565 1.165 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.518 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . . . -115.68 -53.4 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -40.1 -58.74 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -45.86 -54.19 8.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.451 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.2 m -50.57 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.48 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -41.49 -46.78 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.436 ' CE2' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -56.37 -47.42 78.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 45' ' ' PHE . 15.7 mmm -58.01 -62.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -40.91 -33.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -44.71 52.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.54 HD12 ' CD2' ' A' ' 108' ' ' PHE . 89.0 mt -80.9 -65.73 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' MET . 34.8 m-85 -98.71 109.35 52.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 137.56 21.94 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.35 42.02 97.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 92.2 p -113.32 -30.04 7.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.478 ' CD1' ' HA3' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -118.14 -170.19 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.56 57.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.591 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -44.82 -25.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -88.15 39.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.83 -45.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.444 HG11 ' CE1' ' A' ' 56' ' ' PHE . 5.3 p -45.51 161.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -115.83 101.68 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.3 m-85 -89.35 32.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -162.92 29.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.63 125.28 25.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.59 -7.24 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 9.4 mt -119.98 158.47 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -68.34 -55.33 12.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 14.5 p80 -38.48 -32.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 61' ' ' GLU . 2.4 mm-40 -69.52 -57.26 5.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.572 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 13.2 m-30 -37.96 -49.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.477 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 1.2 mp -42.74 -65.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -44.95 -53.75 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -42.98 -49.48 5.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.495 ' CD2' HG13 ' A' ' 86' ' ' VAL . 44.8 m-85 -70.77 -46.94 62.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -45.09 -43.38 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 93.6 mt -67.79 -58.2 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.552 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.2 tm? -43.11 -54.1 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 75' ' ' PHE . 4.7 tp60 -38.18 -49.62 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.59 -47.74 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.478 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -40.4 -42.89 2.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 m-30 -71.06 -62.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -70.19 60.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.453 ' CG ' ' O ' ' A' ' 76' ' ' LYS . 43.2 mtt-85 -164.91 -42.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.429 ' HG3' ' CD2' ' A' ' 45' ' ' PHE . 44.4 mmm -95.44 -37.54 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 136.61 69.31 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.413 ' HB ' ' CB ' ' A' ' 75' ' ' PHE . 5.2 t -148.23 126.64 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -117.13 64.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.573 ' HE2' ' CE3' ' A' ' 103' ' ' TRP . 27.9 tptt -111.34 134.87 52.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.3 mm -86.29 109.78 19.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.552 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 16.9 mt -82.5 115.64 59.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.05 64.09 6.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.783 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.495 HG13 ' CD2' ' A' ' 68' ' ' PHE . 25.6 t -59.17 -61.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.467 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 2.2 t0 -39.05 -40.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 91' ' ' LYS . 20.4 mtpp -81.21 -60.73 2.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.494 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 82.4 mt -42.9 -52.38 5.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.481 HG11 ' CG1' ' A' ' 86' ' ' VAL . 21.5 m -62.44 -34.49 64.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -75.05 -14.0 60.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' LYS . . . 64.15 75.95 0.33 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.6 OUTLIER -95.15 6.86 47.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 0.736 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.447 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 40.3 t80 57.03 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -48.67 -52.54 22.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -16.89 15.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.494 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -91.67 -35.26 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -80.5 -37.45 31.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -78.42 -7.84 57.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.812 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 4.4 t80 -101.2 -34.22 9.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 102' ' ' GLN . 14.4 p -73.64 -54.89 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.426 ' N ' ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -41.82 -32.2 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CE3' ' HE2' ' A' ' 82' ' ' LYS . 71.5 t90 -77.79 -56.43 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.052 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.812 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -44.55 -40.8 5.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.475 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 4.3 tmtt? -68.06 -53.97 21.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -58.28 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -52.36 -59.32 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.54 ' CD2' HD12 ' A' ' 44' ' ' LEU . 2.0 m-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.536 ' CE1' ' HB1' ' A' ' 15' ' ' ALA . 25.7 t-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -64.37 -35.6 81.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.405 ' SD ' HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -88.08 -50.51 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mt -45.6 -45.9 14.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.536 ' HB1' ' CE1' ' A' ' 11' ' ' HIS . . . -61.05 -45.93 92.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.515 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 25.0 t90 -46.6 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 107.972 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.7 mp -55.61 -58.51 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 96.6 m-20 -40.05 -46.35 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.63 56.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.443 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 61.6 m -152.58 -44.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -129.25 5.33 5.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 71.77 68.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -108.16 -158.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -171.85 58.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.2 mt -78.86 140.75 38.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.91 -30.05 8.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.77 147.52 50.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.465 HG21 ' CA ' ' A' ' 98' ' ' PHE . 2.7 mm -60.1 -17.49 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.06 -4.48 38.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -71.29 -13.4 61.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.99 27.02 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.9 p -81.69 -19.14 42.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 108.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -72.4 -63.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.86 48.45 1.62 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.574 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . . . -118.07 -48.92 2.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -40.12 -54.23 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -50.87 -56.68 11.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.428 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -44.49 -65.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.338 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.476 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -45.44 -60.1 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -42.89 -53.84 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.483 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 12.3 mmm -49.15 -63.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.25 -44.27 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -60.91 -42.16 97.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' MET . 93.1 mt -77.38 -61.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' MET . 97.3 m-85 -108.72 109.81 61.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 111.45 3.33 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.6 42.01 4.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 45' ' ' PHE . 3.7 p -115.09 -33.62 5.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.483 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -114.77 -175.11 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -119.97 60.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -44.18 -27.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.87 42.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -160.74 -44.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.572 HG13 ' CE1' ' A' ' 56' ' ' PHE . 6.8 p -46.19 153.37 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -109.51 99.31 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 35' ' ' ALA . 4.5 m-30 -81.91 -25.91 34.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -99.92 29.68 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB3' ' CB ' ' A' ' 63' ' ' GLU . . . -76.62 126.08 30.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.25 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -112.03 -32.87 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -79.81 162.09 25.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.515 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.1 tt0 -78.11 -42.45 31.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.622 ' CD2' ' HG2' ' A' ' 63' ' ' GLU . 20.4 p-80 -52.16 -26.86 12.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.579 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.622 ' HG2' ' CD2' ' A' ' 62' ' ' HIS . 1.5 mm-40 -74.49 -55.99 5.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 11.9 m-30 -36.73 -47.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.442 ' N ' HG11 ' A' ' 90' ' ' VAL . 2.9 mp -47.21 -66.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -43.02 -54.61 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -40.36 -55.05 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.488 ' CE1' HD11 ' A' ' 89' ' ' LEU . 48.9 m-85 -64.78 -46.82 80.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.27 -46.28 3.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 90.2 mt -67.14 -56.79 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.574 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -47.13 -49.27 22.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.36 -45.08 35.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.53 64.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -65.11 -26.84 71.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.564 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.0 m-30 -84.61 -47.95 10.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -24.06 66.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.5 mtt-85 -77.43 -56.79 4.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.1 mmt -65.3 -57.01 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.83 45.94 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.543 HG13 ' CZ ' ' A' ' 107' ' ' PHE . 95.2 t -96.99 107.18 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.37 69.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' CB ' ' CH2' ' A' ' 103' ' ' TRP . 41.7 tptt -142.58 139.19 31.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mt -111.56 93.7 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.574 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 48.0 mt -53.17 138.37 47.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -74.98 -53.85 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 97.4 t 65.33 -74.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -35.43 -42.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -49.6 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.488 HD11 ' CE1' ' A' ' 68' ' ' PHE . 61.1 mt -53.12 -59.74 4.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.442 HG11 ' N ' ' A' ' 65' ' ' ILE . 35.7 m -53.95 -29.75 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 8.9 mmmt -76.47 -21.59 55.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.58 76.95 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 95' ' ' GLN . 4.7 mtmt -108.69 23.02 15.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 45.3 t80 55.95 -84.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -44.78 -60.81 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -45.14 -25.73 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.438 ' HB3' ' CG2' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -90.33 -51.12 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.486 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 2.3 t80 -59.47 -39.33 83.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.38 -2.25 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.809 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 5.6 t80 -110.53 -40.35 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' A' ' 98' ' ' PHE . 6.1 p -71.06 -35.76 60.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.472 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 1.5 pp0? -63.92 -40.56 96.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CH2' ' CB ' ' A' ' 82' ' ' LYS . 41.6 t90 -69.59 -55.03 11.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.809 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -42.89 -45.61 5.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.515 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 12.5 tttp -61.87 -56.45 19.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.35 -50.09 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.543 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 47.8 t80 -63.39 -56.64 14.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.403 ' CD2' HD11 ' A' ' 44' ' ' LEU . 1.5 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -57.77 -48.01 80.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' TRP . 72.4 mmm -74.58 -51.94 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 28' ' ' ILE . 3.9 mt -44.95 -42.27 8.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.69 98.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.507 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 15.4 t90 -46.06 -75.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 mp -48.88 -57.23 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -41.19 -45.14 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.28 60.14 1.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.444 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 12.0 m -157.82 -44.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.401 ' CD2' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -128.91 4.83 5.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.32 72.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -109.79 -157.72 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -175.67 52.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.0 mt -82.12 149.13 28.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.3 p -113.93 -18.55 11.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.57 143.01 50.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 14' ' ' LEU . 3.6 mm -62.26 -30.07 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 94' ' ' PHE . 6.9 mt-10 -62.01 -13.74 28.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -63.92 -16.59 61.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.31 28.84 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.0 p -87.38 1.55 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 p -91.82 -32.58 15.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.17 50.69 26.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.569 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . . . -119.97 -50.95 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.97 -58.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -47.25 -52.37 16.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -49.51 -65.71 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.313 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -48.34 -45.5 35.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.444 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -58.07 -37.35 74.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 45' ' ' PHE . 17.8 mmm -68.42 -66.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 41' ' ' MET . 0.4 OUTLIER -38.02 -31.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' MET . 2.0 ttp -75.97 -51.79 11.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 108' ' ' PHE . 78.8 mt -71.53 -53.66 13.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 41' ' ' MET . 60.0 m-85 -107.96 113.42 61.01 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 126.52 10.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.428 1.752 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.72 54.13 33.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 45' ' ' PHE . 2.5 p -121.13 -35.61 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.499 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -111.35 -165.8 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -132.48 61.06 1.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mt -45.69 -25.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.94 40.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -158.59 -45.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.509 HG12 ' CE1' ' A' ' 56' ' ' PHE . 5.3 p -47.91 156.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 1.3 mmpt? -115.69 87.49 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 35' ' ' ALA . 3.2 m-85 -69.07 -32.66 72.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -95.46 39.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.69 130.46 34.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.87 -31.42 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.82 156.57 26.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -68.76 -54.25 17.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 15.9 p80 -39.85 -37.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.478 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 1.1 mm-40 -63.43 -53.84 45.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.562 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 8.7 m-30 -42.93 -43.27 4.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.441 ' N ' HG13 ' A' ' 90' ' ' VAL . 1.1 mp -54.91 -68.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -42.33 -53.15 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.5 m-20 -42.55 -53.19 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.469 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 28.7 m-85 -66.24 -44.75 82.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -43.63 -43.49 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.7 mt -69.38 -55.64 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.511 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -48.58 -54.8 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.0 -37.51 4.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.47 96.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -45.77 -41.11 9.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.158 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.558 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.3 m-30 -63.62 -56.6 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -70.26 60.29 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 75' ' ' PHE . 40.3 mtt180 -160.13 -57.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 30.1 mmm -79.37 -63.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.52 66.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 t -140.39 123.08 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -113.44 65.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 33.7 tptt -120.7 127.84 52.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.2 mm -87.42 105.04 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.511 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 10.9 mt -70.35 142.81 89.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.247 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 18.3 Cg_endo -74.94 -56.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 89' ' ' LEU . 70.5 t 63.79 -77.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.514 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 2.0 m-20 -41.09 -35.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -80.59 -42.53 22.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.372 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 86' ' ' VAL . 20.9 mt -64.23 -57.57 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 65' ' ' ILE . 26.1 m -55.0 -31.7 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 6.5 mmmt -74.37 -3.39 30.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 47.33 71.73 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' GLN . 1.7 mmmt -101.93 9.34 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ASN . 51.0 t80 57.36 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -45.17 -58.81 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -48.3 -24.28 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -89.24 -38.48 14.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.418 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 21.5 t80 -72.01 -37.33 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -77.37 -7.87 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.808 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.7 t80 -104.96 -32.28 8.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.418 ' CG1' ' HA ' ' A' ' 98' ' ' PHE . 14.9 p -75.74 -46.09 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -52.17 -24.61 7.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.565 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 70.5 t90 -86.62 -58.49 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 107.996 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.808 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -44.92 -36.07 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.507 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 6.0 tmtt? -73.98 -54.86 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -52.72 19.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -60.67 -52.76 63.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.559 ' CE2' HD11 ' A' ' 44' ' ' LEU . 1.6 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -87.1 -43.65 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 105' ' ' LYS . 70.8 mmm -79.83 -43.32 22.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -41.95 -43.5 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.35 84.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 31.1 t90 -47.92 -62.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.4 ' CG2' HD22 ' A' ' 23' ' ' LEU . 3.4 mp -57.19 -58.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.3 m-20 -42.35 -45.91 4.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.73 49.91 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.7 m -149.97 -45.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -132.72 7.8 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 67.58 43.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.491 ' CD2' ' HB2' ' A' ' 21' ' ' LEU . 1.7 mm? -66.79 -178.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.04 58.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 30' ' ' GLN . 28.9 mt -98.98 144.83 27.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -113.86 -25.25 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.438 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -131.01 140.29 50.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.436 HD13 ' CD1' ' A' ' 31' ' ' LEU . 2.2 mm -46.77 -48.37 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -40.14 -29.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 23.8 mm-40 -48.83 -22.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' CD1' HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -91.59 31.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' GLU . 23.0 p -89.91 -15.15 32.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 108.323 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.8 p -78.88 -61.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.88 51.5 0.95 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.568 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -113.36 -55.68 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.75 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -38.56 -59.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -43.6 -48.55 7.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.439 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -55.25 -65.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.492 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -49.65 -51.36 38.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -44.9 52.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.483 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 12.3 mmm -58.87 -59.26 5.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.56 -40.74 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -32.9 74.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.542 HD13 ' CE2' ' A' ' 108' ' ' PHE . 87.3 mt -91.42 -70.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' MET . 86.4 m-85 -98.08 109.47 51.89 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.51 11.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.84 38.77 41.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p -112.83 -31.24 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.002 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.483 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.0 OUTLIER -119.29 -177.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.38 64.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.463 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -46.32 -27.21 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 43.75 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -162.36 -44.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 56' ' ' PHE . 6.8 p -49.49 149.61 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 12.3 mmtm -107.92 87.83 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CE1' HG11 ' A' ' 54' ' ' VAL . 3.4 m-30 -66.88 -40.84 87.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.16 44.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.61 127.82 35.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -111.06 -32.19 6.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.02 158.22 25.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.583 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -68.87 -55.95 9.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 12.9 p80 -38.98 -39.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.432 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -59.35 -56.25 24.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.583 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 7.5 m-30 -41.77 -52.15 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.044 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.6 mp -45.9 -69.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' ASN . 13.6 mt-30 -41.52 -57.83 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.2 m-20 -39.67 -53.11 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.467 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 41.1 m-85 -66.2 -45.98 78.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -42.59 -42.02 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.85 -56.9 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.602 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.9 tm? -47.77 -50.68 24.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.24 -40.33 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.48 78.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.03 -24.97 22.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.485 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.8 m-30 -85.5 -57.82 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -18.09 34.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -75.83 -43.18 47.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 48.9 mmm -90.05 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.06 69.25 0.01 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.419 HG13 ' CD2' ' A' ' 75' ' ' PHE . 55.8 t -121.57 107.99 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 70.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.573 ' CG ' ' CH2' ' A' ' 103' ' ' TRP . 47.2 tptt -145.13 137.05 25.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mt -116.1 91.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.602 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 47.7 mt -53.78 141.37 47.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.05 -49.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 90' ' ' VAL . 99.1 t 65.65 -71.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.6 OUTLIER -45.42 -25.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.4 mtpp -92.15 -38.01 12.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 100' ' ' PHE . 55.9 mt -73.1 -18.44 61.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' VAL . 6.3 m -101.96 12.04 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -111.11 -13.31 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.42 59.36 10.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.7 OUTLIER -94.43 9.03 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 0.786 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 97' ' ' ASN . 75.5 t80 58.08 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -46.05 -59.18 3.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.296 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -19.43 8.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.9 OUTLIER -90.18 -20.17 23.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 95' ' ' GLN . 2.6 t80 -97.24 -41.52 8.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -71.07 -4.53 25.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.793 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 14.7 t80 -102.05 -47.7 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 102' ' ' GLN . 10.0 p -61.31 -55.41 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -38.57 -45.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CH2' ' CG ' ' A' ' 82' ' ' LYS . 64.6 t90 -67.04 -61.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 107.952 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.793 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -38.4 -37.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.497 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 4.4 tmtt? -70.09 -62.7 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.98 -50.15 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -63.59 -45.19 91.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.542 ' CE2' HD13 ' A' ' 44' ' ' LEU . 1.2 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -69.96 -37.73 75.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.481 ' HE3' ' CB ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -81.97 -49.25 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 mt -42.98 -46.01 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.35 82.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' MET . 23.1 t90 -46.86 -69.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 108.009 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ASN . 3.2 mp -54.12 -59.04 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' ILE . 94.5 m-20 -39.66 -47.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.86 61.61 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.462 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 47.1 m -161.64 -42.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -128.38 5.48 5.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.5 66.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 21' ' ' LEU . 1.1 mm? -106.47 -159.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -169.53 56.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.2 mt -81.95 145.62 30.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.2 p -113.4 -23.3 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -131.15 161.01 33.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 97' ' ' ASN . 4.8 mm -75.86 -27.56 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.28 -8.33 31.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -69.53 -14.26 62.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.58 28.31 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.4 p -77.6 -20.02 54.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 108.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 p -73.64 -61.5 1.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.08 55.99 1.09 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.577 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . . . -121.1 -46.81 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.16 -52.2 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -52.75 -49.43 65.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.1 m -51.21 -54.35 26.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.316 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -55.84 -57.58 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.462 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -45.05 -39.01 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 45' ' ' PHE . 12.9 mmm -65.34 -63.59 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.84 -36.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -42.42 69.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.574 ' CD1' ' CE2' ' A' ' 108' ' ' PHE . 59.8 mt -83.25 -69.41 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 41' ' ' MET . 50.7 m-85 -89.47 112.14 49.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 123.0 7.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.13 51.68 32.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 p -117.99 -33.17 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.0 OUTLIER -117.66 -172.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.62 67.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.508 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.3 mt -48.7 -24.17 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.67 41.24 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -161.04 -43.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.57 HG11 ' CE1' ' A' ' 56' ' ' PHE . 7.4 p -49.44 151.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 3.3 mmtt -101.84 101.5 11.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 35' ' ' ALA . 3.1 m-85 -90.29 39.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -178.03 37.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.459 ' HB1' ' CB ' ' A' ' 63' ' ' GLU . . . -74.51 135.33 42.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.87 -9.65 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.467 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 4.0 mt -108.24 157.11 18.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.8 mt-10 -70.53 -56.95 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.467 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 10.6 p80 -38.77 -31.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.537 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.459 ' CB ' ' HB1' ' A' ' 58' ' ' ALA . 2.0 mm-40 -70.79 -59.7 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 13.9 m-30 -36.34 -43.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.448 ' N ' HG13 ' A' ' 90' ' ' VAL . 1.2 mp -53.78 -67.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ASN . 11.9 mt-30 -42.7 -56.0 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 3.0 m-20 -39.76 -52.19 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.547 ' CE1' HD13 ' A' ' 89' ' ' LEU . 37.8 m-85 -68.1 -44.74 75.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -44.18 -48.2 9.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.19 -56.42 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.506 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.7 tm? -47.36 -55.23 9.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -43.0 -62.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.17 -33.17 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -53.57 -23.63 21.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.476 ' CD2' HG11 ' A' ' 80' ' ' VAL . 8.8 m-30 -87.59 -60.76 1.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -53.94 -25.8 22.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -68.51 -55.32 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 62.8 mmm -76.02 -70.21 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.53 60.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.476 HG11 ' CD2' ' A' ' 75' ' ' PHE . 24.5 t -125.86 103.32 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.01 71.48 6.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 44.1 tptt -126.96 135.34 50.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.1 mm -100.97 104.79 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.506 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 69.7 mt -74.93 143.63 78.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.498 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 18.3 Cg_endo -74.96 -60.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 62.7 t 65.2 -77.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.9 OUTLIER -42.34 -27.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.8 mtpp -88.35 -44.13 11.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.547 HD13 ' CE1' ' A' ' 68' ' ' PHE . 16.7 mt -65.24 -47.97 74.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 65' ' ' ILE . 23.1 m -61.43 -31.99 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 92' ' ' GLY . 0.8 OUTLIER -70.63 -8.72 53.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' LYS . . . 35.74 87.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -141.01 24.85 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' ASP . 34.3 t80 49.52 178.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 66.16 -68.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 44.0 m-20 -53.52 -20.61 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.436 ' HB3' ' CG2' ' A' ' 28' ' ' ILE . 1.1 m-80 -90.35 -44.15 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.511 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 2.6 t80 -68.87 -35.77 77.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -78.13 -7.11 56.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.806 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 1.6 t80 -107.12 -46.45 3.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.511 ' CG1' ' HA ' ' A' ' 98' ' ' PHE . 4.4 p -60.31 -41.04 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -52.58 -47.16 67.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.579 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 69.2 t90 -62.42 -59.05 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.023 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.806 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -42.85 -39.04 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.481 ' CB ' ' HE3' ' A' ' 13' ' ' MET . 0.0 OUTLIER -70.93 -61.82 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -52.14 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -56.77 -53.18 60.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.574 ' CE2' ' CD1' ' A' ' 44' ' ' LEU . 3.0 m-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.02 -39.46 81.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.466 ' CE ' ' HD3' ' A' ' 105' ' ' LYS . 65.3 mmm -87.71 -52.28 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.492 ' CD1' ' C ' ' A' ' 26' ' ' THR . 5.9 mt -40.29 -45.6 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -63.13 -48.04 80.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.552 ' CE2' ' CZ ' ' A' ' 40' ' ' PHE . 33.5 t90 -44.4 -68.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.0 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.5 mp -51.63 -59.89 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' LEU . 92.7 m-20 -43.81 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -38.53 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.472 ' CB ' ' CZ ' ' A' ' 40' ' ' PHE . 20.8 m -38.12 -45.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 39' ' ' GLN . 47.1 mt -104.32 -133.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -144.54 40.38 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 23' ' ' LEU . 3.1 mm? -94.58 -168.72 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -170.3 44.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.8 mt -71.84 148.01 46.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.492 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 19.9 p -105.14 -15.81 14.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -132.42 163.91 27.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.49 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 2.4 mm -78.44 -33.7 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.35 -14.24 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -64.45 -12.21 41.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -93.02 32.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.554 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 17.1 p -91.42 37.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 p -126.75 -63.23 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.05 46.2 1.39 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.558 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . . . -119.13 -51.87 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.84 -59.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -46.66 -51.53 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.432 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.3 m -49.81 -50.27 45.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.476 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -55.01 -56.27 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.552 ' CZ ' ' CE2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -49.88 -39.11 38.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.474 ' CE ' HD11 ' A' ' 49' ' ' ILE . 22.6 mmm -64.22 -62.16 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -46.34 -34.74 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -35.84 74.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 108' ' ' PHE . 74.3 mt -85.79 -62.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' MET . 91.0 m-85 -106.91 109.27 63.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.87 29.52 20.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.4 p -100.98 -34.35 9.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.474 HD11 ' CE ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -115.05 -166.6 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -128.43 60.5 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.454 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -45.94 -25.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.44 40.45 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -158.61 -45.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.544 HG13 ' CE1' ' A' ' 56' ' ' PHE . 5.6 p -46.11 153.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.434 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 2.9 mmpt? -110.88 93.6 4.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 35' ' ' ALA . 3.9 m-30 -74.55 -30.69 61.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -98.72 40.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.39 131.57 34.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -113.99 -30.67 6.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.36 158.66 22.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.583 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.0 mt-10 -70.68 -55.05 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.541 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 12.7 p80 -39.36 -39.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' CG ' HD21 ' A' ' 60' ' ' LEU . 1.5 mm-40 -57.82 -62.16 2.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.583 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 7.2 m-30 -38.3 -53.55 1.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.481 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 2.3 mp -39.05 -63.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' ASN . 12.1 mt-30 -51.24 -54.2 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.3 m-20 -40.19 -47.0 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.463 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 35.8 m-85 -71.17 -45.15 64.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -43.31 -47.05 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.31 -57.4 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.53 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.7 tm? -45.99 -55.69 6.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -48.61 -41.69 31.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.7 -27.83 68.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -63.93 -28.82 73.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.476 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.4 m-30 -79.86 -48.7 13.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.76 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -18.59 56.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -81.12 -48.3 12.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mmt -76.34 -56.9 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.73 53.84 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.5 t -122.24 112.17 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 65.72 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 39.4 tptt -113.85 133.79 55.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.7 mm -87.49 110.26 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.53 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 23.2 mt -84.48 115.8 62.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -74.99 67.66 5.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 90' ' ' VAL . 46.9 t -64.94 -58.82 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.03 -28.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 91' ' ' LYS . 40.7 mtpt -95.2 -58.55 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 79.8 mt -45.88 -41.8 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 86' ' ' VAL . 29.5 m -71.12 -32.51 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 88' ' ' LYS . 11.9 mttt -72.04 -12.67 61.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.71 50.63 6.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -88.11 83.16 7.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.678 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -34.63 -55.28 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.405 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -55.15 -48.34 73.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.228 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -79.95 3.48 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -99.51 -41.65 7.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.43 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 2.4 t80 -84.91 -36.62 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -72.36 -4.22 28.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 8.9 t80 -107.31 -40.42 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 98' ' ' PHE . 10.9 p -70.09 -43.41 79.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.2 pt20 -54.41 -23.21 14.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 47.7 t90 -87.14 -53.78 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 108.02 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -46.13 -38.01 7.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.525 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 2.5 ttpm? -66.94 -44.51 80.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -54.7 32.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.07 -19.51 44.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.565 ' CD2' HD13 ' A' ' 44' ' ' LEU . 3.9 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.36 -39.5 12.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -33.51 36.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 mt -50.77 -45.71 59.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.12 79.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.457 ' CH2' ' CE2' ' A' ' 40' ' ' PHE . 30.5 t90 -45.84 -61.63 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 108.027 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.4 mp -61.89 -61.27 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' ILE . 62.6 m-20 -38.13 -44.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.94 60.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.6 m -159.18 -44.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -126.83 1.89 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.72 72.16 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -110.82 -158.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -172.16 59.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.9 mt -83.68 148.26 27.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -115.32 -18.69 10.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -131.8 167.25 19.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.505 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 6.2 mm -81.2 -34.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.49 -11.93 38.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -62.02 -13.94 30.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -93.81 28.3 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.416 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 27.7 p -92.57 40.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -126.2 -64.33 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.93 48.77 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.534 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . . . -123.62 -55.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.97 -60.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -45.32 -51.6 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.434 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.2 m -49.28 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 108.269 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.461 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -42.06 -46.02 4.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.457 ' CE2' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -58.26 -41.5 84.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.506 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 7.5 mmm -63.59 -63.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -29.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -75.29 -43.08 53.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.517 HD12 ' CE2' ' A' ' 108' ' ' PHE . 95.2 mt -77.49 -49.46 14.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 92.7 m-85 -123.57 109.28 30.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 124.28 8.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.6 33.41 22.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -108.67 -35.26 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.044 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.506 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -114.43 -167.59 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.57 65.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.6 -22.02 3.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.59 38.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -159.13 -44.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.475 HG13 ' CE1' ' A' ' 56' ' ' PHE . 6.3 p -47.04 150.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 34.5 mmtt -104.78 102.53 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 35' ' ' ALA . 3.2 m-85 -89.22 31.47 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -162.46 27.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB1' ' CB ' ' A' ' 63' ' ' GLU . . . -69.83 130.14 41.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.45 -30.95 7.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.567 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.89 165.35 18.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.549 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 3.3 tt0 -81.25 -40.75 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.63 ' CD2' ' HG2' ' A' ' 63' ' ' GLU . 17.7 p-80 -53.26 -30.65 39.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.595 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.63 ' HG2' ' CD2' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -68.75 -57.25 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 12.2 m-30 -37.53 -47.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.475 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 2.1 mp -43.9 -68.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ASN . 4.5 mt-30 -47.87 -56.49 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.6 m-20 -39.51 -47.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.482 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 20.3 m-85 -72.1 -47.38 51.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -42.56 -49.55 5.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 88.9 mt -58.69 -58.08 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.556 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.5 tm? -47.76 -53.19 16.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.403 ' NE2' HG13 ' A' ' 84' ' ' ILE . 1.8 tp60 -50.33 -43.74 54.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.09 -28.15 64.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.83 -33.18 86.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.9 m-30 -75.21 -49.34 19.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -17.08 58.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -83.51 -54.72 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.406 ' CE ' ' CD1' ' A' ' 45' ' ' PHE . 97.2 mmm -68.94 -60.05 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 146.54 57.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.5 t -128.71 117.23 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -97.03 61.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.54 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 42.5 tptt -112.07 126.76 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.4 mm -82.28 109.91 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.556 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 18.5 mt -81.81 119.72 75.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.577 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -74.97 63.08 5.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 40.2 t -61.57 -62.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' VAL . 1.6 t0 -39.84 -31.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 91' ' ' LYS . 27.1 mtpp -89.59 -59.84 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 81.1 mt -43.92 -41.15 5.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.477 HG13 ' CG1' ' A' ' 86' ' ' VAL . 24.5 m -71.23 -36.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 88' ' ' LYS . 42.6 mttt -70.48 -14.31 62.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.06 64.82 2.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 96' ' ' ASP . 5.6 mmpt? -103.85 82.77 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -37.73 -31.95 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' LYS . 66.3 tt0 -69.55 -50.96 39.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.227 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.495 ' OD2' ' CB ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -83.59 6.37 20.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.475 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -104.41 -41.72 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.49 ' CD2' HG13 ' A' ' 28' ' ' ILE . 2.5 t80 -80.9 -36.63 30.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -77.64 -10.74 59.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.335 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.808 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.8 t80 -95.91 -37.09 10.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.5 p -76.09 -28.93 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.46 -28.42 68.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.54 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 57.5 t90 -84.62 -56.56 3.54 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.808 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -42.19 -45.71 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.57 -60.32 3.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -53.36 10.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -57.49 -51.73 68.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.517 ' CE2' HD12 ' A' ' 44' ' ' LEU . 1.8 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -61.53 -41.52 97.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' TRP . 55.2 mmm -78.32 -51.99 9.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 14' ' ' LEU . 6.2 mt -42.93 -42.99 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.39 90.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 28.6 t90 -45.61 -69.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 107.994 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.13 -58.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -40.23 -45.41 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.54 60.19 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.5 m -159.05 -43.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -130.45 7.34 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 65.91 75.09 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.436 HD23 ' C ' ' A' ' 21' ' ' LEU . 1.2 mm? -109.68 -159.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -173.41 65.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -95.48 141.25 29.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 t -101.16 -27.08 13.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -126.4 167.7 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.411 ' C ' ' N ' ' A' ' 30' ' ' GLN . 3.9 mm -76.54 -45.38 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.17 -24.24 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 28' ' ' ILE . 8.6 mm-40 -49.26 -22.35 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.59 32.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 25.5 p -92.73 21.22 5.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.326 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -110.0 -60.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.11 47.58 1.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.585 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . . . -117.54 -55.83 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.78 -59.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -46.07 -52.94 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.434 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.3 m -52.3 -66.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.35 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.489 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.21 -47.66 9.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -46.17 83.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.484 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 7.2 mmm -54.73 -60.74 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -44.45 -40.58 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -36.54 84.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.53 HD13 ' CE2' ' A' ' 108' ' ' PHE . 95.4 mt -82.33 -54.84 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -118.09 112.48 38.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.48 2.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.79 33.79 6.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -103.69 -35.8 8.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 0.733 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.484 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -115.4 -166.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.74 62.03 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -42.51 -28.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.14 44.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' ALA . 7.3 ttpp -161.36 -45.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.556 HG13 ' CE1' ' A' ' 56' ' ' PHE . 5.8 p -47.2 154.61 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -110.51 100.56 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.585 ' CD1' ' HB2' ' A' ' 35' ' ' ALA . 5.8 m-30 -82.29 -35.12 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -91.57 28.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.459 ' HB2' ' CB ' ' A' ' 63' ' ' GLU . . . -74.61 126.48 30.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.62 -32.56 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -79.0 167.55 20.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.525 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -82.83 -42.5 17.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.627 ' CD2' ' HG2' ' A' ' 63' ' ' GLU . 20.1 p-80 -51.6 -28.52 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.618 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.627 ' HG2' ' CD2' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -72.54 -55.49 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 11.8 m-30 -37.75 -47.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.423 ' N ' HG11 ' A' ' 90' ' ' VAL . 3.6 mp -48.49 -69.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -40.77 -56.06 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -40.5 -54.4 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.468 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 40.7 m-85 -64.89 -44.8 88.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.41 -44.84 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 98.9 mt -68.26 -57.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.499 HD12 ' CD1' ' A' ' 84' ' ' ILE . 1.4 tm? -42.58 -50.51 5.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.375 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -50.37 -43.79 54.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.33 -23.46 56.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.75 -25.01 76.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.624 ' CD2' ' CG1' ' A' ' 80' ' ' VAL . 6.3 m-30 -86.18 -46.32 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -33.77 70.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -69.03 -56.79 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.3 mmt -65.48 -70.24 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 148.5 48.04 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.624 ' CG1' ' CD2' ' A' ' 75' ' ' PHE . 24.9 t -101.81 113.94 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.26 68.2 10.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.562 ' CB ' ' CH2' ' A' ' 103' ' ' TRP . 23.5 tptt -134.43 120.95 20.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.8 mm -88.23 91.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.499 ' CD1' HD12 ' A' ' 71' ' ' LEU . 74.0 mt -55.22 142.25 58.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.01 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 62.7 t 64.29 -78.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.501 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -44.05 -27.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.8 mtpp -86.38 -41.85 14.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' VAL . 13.9 mt -67.75 -56.56 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.505 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 9.7 m -54.09 -23.3 9.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 12.4 mmmt -81.85 -23.76 36.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 65.99 77.87 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -109.52 -0.18 18.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.484 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 8.1 t80 60.95 -67.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.571 ' N ' ' O ' ' A' ' 93' ' ' LYS . 3.2 tp60 -52.71 -32.15 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.408 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -92.97 11.73 26.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -119.52 -40.73 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -74.71 -30.78 61.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -83.89 -13.51 53.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.736 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.2 t80 -97.36 -23.69 15.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 102' ' ' GLN . 12.0 p -83.27 -53.92 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.432 ' N ' ' CG1' ' A' ' 101' ' ' VAL . 3.0 pt20 -51.46 -21.9 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.562 ' CH2' ' CB ' ' A' ' 82' ' ' LYS . 8.5 t90 -88.6 -33.92 17.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.005 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.736 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -70.58 -34.22 71.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.465 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 7.3 tmtt? -73.61 -49.68 24.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -52.12 55.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -59.67 -50.82 72.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.53 ' CE2' HD13 ' A' ' 44' ' ' LEU . 1.8 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -53.77 -46.6 71.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' TRP . 70.9 mmm -76.02 -54.36 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 26' ' ' THR . 6.1 mt -39.76 -45.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -64.54 -47.67 77.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' MET . 26.6 t90 -42.65 -66.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mp -57.86 -62.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -40.82 -78.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -39.99 -69.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' GLU . 74.8 m -36.39 -50.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 89.0 mt -100.09 -126.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -150.13 48.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 21' ' ' LEU . 2.4 mm? -105.85 -164.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -167.63 37.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 mt -51.26 147.84 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.433 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 69.1 p -115.1 -19.5 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -130.81 150.53 51.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.418 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 3.3 mm -68.36 -18.52 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.2 -7.47 55.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -68.7 -8.38 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.55 30.16 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.6 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 20.3 p -94.17 34.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -122.24 -64.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.02 44.32 1.52 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.145 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.575 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . . . -120.32 -53.28 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.36 -53.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -53.55 -58.75 6.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.421 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.3 m -43.01 -54.69 4.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.321 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.415 ' NE2' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.07 -59.41 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -48.39 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.509 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 24.3 mmm -55.25 -61.63 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.07 -33.21 11.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -27.19 63.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 108' ' ' PHE . 89.5 mt -95.93 -59.54 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' MET . 44.3 m-85 -115.19 109.85 46.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 119.8 5.78 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.85 -22.26 35.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.4 p -52.9 -38.26 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.509 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -115.52 -164.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -134.45 64.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.434 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 1.6 mt -44.63 -27.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.24 42.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -161.44 -44.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.553 HG11 ' CE1' ' A' ' 56' ' ' PHE . 6.5 p -48.39 145.61 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 5.1 mmtt -103.01 94.52 5.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 35' ' ' ALA . 4.1 m-30 -74.56 -40.3 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -90.52 42.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.89 128.92 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -113.59 -31.8 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.76 156.57 24.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.459 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -68.35 -54.63 16.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 15.2 p80 -39.34 -39.24 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.477 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 1.4 mm-40 -60.34 -58.23 9.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 32' ' ' CYS . 11.9 m-30 -39.6 -45.87 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.429 ' N ' HG12 ' A' ' 90' ' ' VAL . 1.4 mp -51.43 -70.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -42.84 -52.97 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.4 m-20 -42.42 -51.55 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 30.4 m-85 -67.47 -43.64 80.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -43.99 -45.93 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.13 -56.55 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -47.39 -51.62 19.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -38.09 8.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.18 -35.5 79.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -52.29 -21.81 9.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.425 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 8.1 m-30 -90.14 -63.05 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -49.44 -27.66 4.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 67.2 mtt180 -74.63 -52.43 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.7 mmt -68.01 -67.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 153.71 44.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.555 HG23 ' CZ ' ' A' ' 107' ' ' PHE . 55.4 t -113.1 121.32 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -94.71 62.62 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.563 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 45.6 tptt -116.31 134.9 54.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.5 mm -100.25 102.28 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.52 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 59.8 mt -71.83 142.64 85.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.484 ' HD2' ' CE2' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -74.98 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 66.1 t 66.28 -79.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.513 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -35.18 -41.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -53.17 10.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 34.2 mt -55.29 -58.78 6.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 65' ' ' ILE . 19.4 m -50.8 -31.97 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -73.93 -32.9 63.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 99.35 44.2 2.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 97' ' ' ASN . 37.1 mttt -85.79 82.06 8.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -36.43 -56.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.574 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -53.24 -48.07 68.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.14 4.08 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.467 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -103.98 -32.35 9.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.235 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -88.28 -34.69 17.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.13 -5.81 50.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.789 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 10.2 t80 -101.31 -36.16 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 102' ' ' GLN . 14.6 p -71.87 -54.47 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.432 ' N ' HG12 ' A' ' 101' ' ' VAL . 0.5 OUTLIER -41.65 -44.24 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.277 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 49.4 t90 -66.26 -52.08 51.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.027 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.789 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -50.27 -57.84 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.404 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 3.9 tmtt? -42.92 -53.62 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.99 -65.19 0.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -41.02 -34.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.571 ' CD2' HD12 ' A' ' 44' ' ' LEU . 9.5 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.36 -53.67 55.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' TRP . 79.4 mmm -66.16 -54.22 28.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mt -41.92 -44.94 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.53 -48.73 76.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.515 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 33.9 t90 -46.48 -65.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' A' ' 23' ' ' LEU . 2.1 mp -57.47 -59.39 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' ILE . 55.2 m-20 -39.58 -49.03 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.15 60.61 2.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.5 m -162.06 -43.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -126.27 5.56 7.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 65.3 70.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 17' ' ' ILE . 1.1 mm? -105.46 -156.33 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -177.16 64.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.441 ' CD1' HD22 ' A' ' 31' ' ' LEU . 14.4 mt -98.71 150.2 22.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.5 p -109.05 -14.62 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -140.11 172.78 12.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.8 mm -79.77 -44.04 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.492 ' HG3' ' CA ' ' A' ' 94' ' ' PHE . 2.8 mt-10 -49.25 -22.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -53.85 -19.33 4.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.441 HD22 ' CD1' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -91.88 33.79 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.52 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 23.0 p -92.27 27.54 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.431 ' O ' ' CE2' ' A' ' 68' ' ' PHE . 6.8 p -115.17 -60.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.48 46.88 1.61 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.573 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -117.33 -53.59 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.25 -61.73 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -43.91 -53.23 6.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 41' ' ' MET . 1.3 m -50.77 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -42.32 -41.33 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.434 ' N ' HD23 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -63.22 -39.97 96.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.493 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 31.1 mmm -64.93 -63.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -40.36 -42.3 1.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.76 -44.12 97.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.573 HD11 ' CD2' ' A' ' 108' ' ' PHE . 89.1 mt -75.74 -59.08 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 78' ' ' MET . 96.6 m-85 -112.25 107.97 55.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 124.15 8.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.43 34.93 30.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -110.27 -34.09 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.493 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.5 OUTLIER -109.26 -168.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 53' ' ' LYS . . . -124.75 55.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -44.03 -27.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -89.98 39.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' ALA . 9.0 ttpt -157.13 -45.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.584 HG11 ' CE1' ' A' ' 56' ' ' PHE . 7.5 p -47.75 150.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.439 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 7.8 mmtt -106.69 99.46 9.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.584 ' CE1' HG11 ' A' ' 54' ' ' VAL . 4.8 m-30 -80.47 -31.12 37.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -104.17 48.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.84 133.97 33.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.16 -4.61 11.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 7.2 mt -116.59 160.92 19.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.6 mt-10 -73.13 -54.51 8.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.513 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 11.8 p80 -39.47 -36.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.57 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 64' ' ' TYR . 3.0 mm-40 -65.04 -61.76 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.52 ' CD2' ' O ' ' A' ' 32' ' ' CYS . 13.0 m-30 -35.69 -55.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.405 ' N ' HG13 ' A' ' 90' ' ' VAL . 1.3 mp -39.61 -65.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -42.91 -54.5 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -41.2 -54.19 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.469 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 73.4 m-85 -64.58 -44.06 91.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -44.4 -41.41 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.0 mt -71.28 -54.92 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.567 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -48.83 -50.57 33.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.0 -37.4 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.0 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.464 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -54.19 -30.4 47.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -81.95 -43.71 17.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -5.93 43.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -88.02 -44.07 11.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 45' ' ' PHE . 10.6 mmt -88.98 -69.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.35 66.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.659 ' CG1' ' CZ ' ' A' ' 107' ' ' PHE . 92.0 t -132.4 109.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.54 69.75 10.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 45.7 tptt -122.08 134.27 54.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.7 mm -100.24 106.13 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.567 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 29.0 mt -77.1 142.72 68.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.522 ' HD2' ' CE2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -74.97 -60.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 90' ' ' VAL . 61.9 t 66.66 -79.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 5.8 t0 -40.97 -29.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' A' ' 86' ' ' VAL . 8.1 mtpp -85.18 -46.19 11.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 14.1 mt -65.28 -56.35 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 86' ' ' VAL . 8.3 m -51.27 -34.04 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 16.2 mmmt -73.71 -26.21 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 96.35 44.01 3.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 97' ' ' ASN . 7.2 mmtm -82.93 69.88 9.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.03 -47.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.497 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 42.8 tt0 -57.11 -57.91 10.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -3.96 27.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -91.84 -43.44 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -73.63 -33.51 64.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -81.17 -8.72 59.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.775 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.6 t80 -98.3 -32.63 11.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.6 p -79.14 -35.46 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 2.2 pt20 -60.32 -29.36 68.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 35.6 t90 -82.0 -48.98 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.775 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -49.71 -60.3 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.515 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 32.1 tttp -40.82 -58.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.73 -59.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.659 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 1.6 t80 -45.05 -32.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.573 ' CD2' HD11 ' A' ' 44' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.5 m80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.04 -41.69 92.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TRP . 47.1 mmm -83.48 -51.82 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.409 ' N ' HD21 ' A' ' 14' ' ' LEU . 6.8 mt -41.53 -43.86 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.42 -47.78 78.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.627 ' CZ2' ' CE2' ' A' ' 40' ' ' PHE . 30.7 t90 -45.28 -72.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 107.967 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mp -50.22 -56.87 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -42.37 -47.05 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.44 56.53 1.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.435 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 57.8 m -153.8 -44.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -127.71 4.33 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.12 69.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -103.85 -156.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -177.42 58.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.2 mt -87.88 148.35 24.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.3 p -107.17 -16.2 14.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -138.08 173.72 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.452 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 5.3 mm -81.44 -41.82 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.64 -20.37 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -52.73 -19.96 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' CD1' ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -91.34 34.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.3 p -92.8 22.26 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 108.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 p -107.25 -55.76 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.93 45.46 2.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.579 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . . . -122.13 -51.1 2.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.96 -54.2 2.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -51.13 -51.21 55.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' MET . 1.3 m -51.1 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.297 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -43.24 -43.34 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.627 ' CE2' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -62.3 -36.21 81.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.522 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 20.1 mmm -70.29 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.89 -35.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -69.03 -45.09 71.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' A' ' 108' ' ' PHE . 80.0 mt -75.66 -53.07 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CD1' ' HE3' ' A' ' 78' ' ' MET . 40.8 m-85 -126.72 107.94 22.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.1 16.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.87 -22.75 29.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.8 p -56.68 -35.78 68.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.522 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.3 OUTLIER -112.56 -161.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' LYS . . . -137.98 60.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.456 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -40.12 -29.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -88.92 43.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' ALA . 6.0 ttmt -159.07 -45.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.568 HG11 ' CE1' ' A' ' 56' ' ' PHE . 7.6 p -50.45 153.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -113.13 94.7 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 35' ' ' ALA . 6.1 m-30 -73.39 -38.44 65.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -89.51 39.29 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.61 127.96 34.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -115.19 -33.36 5.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.571 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.16 158.55 26.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.6 mt-10 -69.44 -56.23 8.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 11.2 p80 -38.42 -37.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 64' ' ' TYR . 2.1 mm-40 -63.01 -61.19 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.454 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 12.9 m-30 -35.94 -49.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.443 ' N ' HG13 ' A' ' 90' ' ' VAL . 1.3 mp -48.92 -65.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' ASN . 9.0 mt-30 -45.7 -54.65 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.4 m-20 -39.79 -52.01 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.479 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 34.7 m-85 -66.95 -48.11 69.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -40.81 -41.28 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 88.1 mt -71.24 -57.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.487 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.5 tm? -44.58 -50.68 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -46.01 -43.24 14.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.411 ' HA ' ' CG ' ' A' ' 76' ' ' LYS . . . -56.6 -34.63 67.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.443 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -52.57 -33.29 40.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -78.16 -50.4 12.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.411 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 2.2 ptpt -76.58 56.59 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -162.3 -43.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.561 ' HE3' ' CD1' ' A' ' 45' ' ' PHE . 70.2 mmm -90.04 -55.36 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 152.3 65.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.5 t -141.12 117.52 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.33 65.84 0.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.58 ' HB2' ' CH2' ' A' ' 103' ' ' TRP . 45.5 tptt -113.92 138.22 50.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mt -100.5 97.7 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 54.3 mt -68.48 137.33 90.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.235 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 87' ' ' ASP . 18.5 Cg_endo -74.97 -55.03 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 60.1 t 63.6 -78.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' PRO . 66.1 t0 -39.06 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 86' ' ' VAL . 13.0 mtpp -85.31 -50.44 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 86' ' ' VAL . 19.9 mt -58.48 -48.11 81.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 65' ' ' ILE . 17.5 m -61.92 -25.38 37.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 2.3 mtpm? -83.94 -14.19 51.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.71 62.25 2.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -101.11 78.12 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 93' ' ' LYS . 29.1 t80 -33.62 -40.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.43 -56.5 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -81.27 1.82 30.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -97.42 -29.97 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -94.1 -30.83 14.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -83.55 -7.12 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.3 t80 -102.56 -25.32 13.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.8 p -84.61 -39.64 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.7 pt20 -59.54 -25.69 64.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CH2' ' HB2' ' A' ' 82' ' ' LYS . 23.9 t90 -84.7 -46.31 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -53.7 -48.44 69.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.527 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 12.4 tttm -58.88 -59.24 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -61.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -49.75 -57.32 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.56 ' CD2' HD13 ' A' ' 44' ' ' LEU . 2.1 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 4' ' ' GLY . 10.1 m 62.88 164.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.76 . . . . 0.0 110.024 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 m 66.96 -71.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 109.0 -153.14 16.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t 179.9 114.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.49 -62.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.97 -150.01 24.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 44.65 88.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.92 179.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 0.1 OUTLIER 70.0 -72.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -17.43 15.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.569 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -55.79 -51.3 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' TRP . 82.0 mmm -70.54 -52.05 24.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mt -41.02 -49.23 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -45.71 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' MET . 16.9 t90 -45.47 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.1 mp -53.04 -58.46 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' ILE . 45.2 m-20 -40.07 -44.85 1.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.83 55.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.495 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.2 m -151.66 -44.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.968 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -129.48 5.9 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.5 69.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -106.65 -156.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -173.24 45.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 mt -72.06 139.96 48.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.451 ' O ' ' NH2' ' A' ' 10' ' ' ARG . 1.1 t -102.05 -28.23 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -128.78 167.67 16.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 97' ' ' ASN . 4.2 mm -76.26 -43.28 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.57 -25.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -51.11 -21.68 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.75 33.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.5 p -93.43 29.08 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.294 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 p -119.36 -61.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.77 49.19 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . . . -119.65 -53.71 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.4 -58.75 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -47.57 -58.49 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.2 m -43.26 -64.78 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -46.52 -50.75 16.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.495 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -52.65 -45.42 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.486 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 8.4 mmm -58.51 -61.22 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.03 -41.26 3.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -39.92 95.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 108' ' ' PHE . 89.4 mt -79.94 -62.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CD1' ' HE3' ' A' ' 78' ' ' MET . 83.1 m-85 -112.4 107.73 55.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.85 4.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.8 27.59 11.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.0 p -103.82 -33.57 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.486 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.0 OUTLIER -117.51 -176.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -120.35 64.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.457 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -47.2 -25.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.51 41.88 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -159.35 -44.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.572 HG12 ' CE1' ' A' ' 56' ' ' PHE . 6.9 p -47.55 149.15 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -99.6 102.1 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.572 ' CE1' HG12 ' A' ' 54' ' ' VAL . 3.5 m-30 -89.99 28.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -160.26 26.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.459 ' HB2' ' CB ' ' A' ' 63' ' ' GLU . . . -69.26 129.21 39.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -111.21 -29.05 8.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.51 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 4.7 mt -89.07 162.11 16.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -72.91 -57.4 4.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.51 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 9.4 p80 -37.72 -37.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.555 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.459 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -63.12 -57.73 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 14.2 m-30 -36.26 -56.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 mp -41.25 -62.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -44.65 -58.07 3.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -40.7 -51.35 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.5 ' CE1' HD12 ' A' ' 89' ' ' LEU . 58.7 m-85 -66.5 -44.17 83.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.75 -45.01 6.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.05 -57.08 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.573 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.7 tm? -47.07 -49.58 21.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.54 -38.0 42.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.34 -25.07 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -67.19 -17.5 68.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 4.9 m-30 -94.81 -51.89 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -14.79 48.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -84.15 -53.68 5.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.573 ' HE3' ' CD1' ' A' ' 45' ' ' PHE . 48.5 mmm -73.18 -62.56 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.91 57.32 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' A' ' 75' ' ' PHE . 62.9 t -108.64 111.41 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -73.88 65.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 38.9 tptt -145.0 121.84 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.3 mm -101.31 86.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.573 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 42.4 mt -42.15 142.09 1.26 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' ASP . 18.4 Cg_endo -74.98 -50.46 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 90' ' ' VAL . 95.7 t 66.61 -68.59 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -49.11 -23.63 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -94.84 -29.4 14.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.5 HD12 ' CE1' ' A' ' 68' ' ' PHE . 28.4 mt -79.68 -19.82 48.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 86' ' ' VAL . 24.1 m -100.69 13.5 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.42 -22.72 20.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 50.01 52.6 25.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.22 11.55 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' ASP . 22.9 t80 63.08 -179.18 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.406 ' HB3' ' O ' ' A' ' 94' ' ' PHE . 36.7 tt0 67.01 -64.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 94' ' ' PHE . 47.8 m-20 -57.51 -18.08 17.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.472 ' HB3' ' CG2' ' A' ' 28' ' ' ILE . 5.9 m-80 -95.17 -40.15 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.462 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 2.0 t80 -71.52 -43.86 65.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -70.11 -5.8 29.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.794 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 8.7 t80 -106.89 -47.1 3.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 98' ' ' PHE . 7.5 p -60.52 -44.75 97.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 1.4 pp0? -50.15 -46.02 53.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.574 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 76.8 t90 -63.84 -64.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.794 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -37.29 -48.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -58.86 -60.64 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.87 -58.36 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -55.96 -58.44 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.47 ' CD2' HD11 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -37.58 -47.11 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.67 -51.99 67.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.237 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.7 t -127.94 88.87 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 109.988 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -105.49 -113.7 3.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.88 43.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 m -60.57 121.24 11.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.977 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.9 m 62.16 151.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t 57.4 84.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.981 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 p -153.72 -57.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.65 -149.09 18.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -102.52 155.41 18.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 110.015 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -46.41 154.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.26 -158.7 8.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.554 1.159 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -131.74 97.88 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.57 170.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER 71.0 -69.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.33 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -60.02 -15.38 22.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -59.78 -54.89 40.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' TRP . 75.3 mmm -65.63 -54.36 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mt -39.99 -46.51 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -63.74 -48.22 77.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.521 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 30.3 t90 -43.08 -68.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 108.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.1 -60.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' LEU . 71.7 m-20 -42.6 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -38.89 -67.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLU . 61.6 m -39.28 -38.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 18' ' ' ASN . 43.0 mt -114.11 -131.0 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -145.68 41.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 23' ' ' LEU . 3.0 mm? -93.53 -168.61 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.418 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 57.9 t-20 -171.21 43.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.403 ' CD2' ' HB3' ' A' ' 30' ' ' GLN . 34.6 mt -66.57 153.02 44.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.42 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 29.1 p -117.41 -14.12 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -132.23 142.62 49.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.7 mm -65.51 -14.56 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -79.95 -8.1 59.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.403 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 4.6 mm-40 -70.19 -13.22 62.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.29 29.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 31.4 p -91.92 16.06 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 p -104.36 -57.04 2.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.64 48.53 1.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.514 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -117.14 -54.13 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.47 -65.03 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -40.56 -56.41 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.435 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.1 m -45.65 -59.35 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.63 -62.29 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.18 -53.61 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.486 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 18.2 mmm -48.27 -64.33 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.87 -41.81 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.358 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -62.9 -42.23 99.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 108' ' ' PHE . 86.8 mt -77.5 -58.42 3.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -110.67 110.56 57.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 111.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.21 42.34 5.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.1 p -113.88 -33.78 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.486 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -114.47 -174.21 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -122.14 60.67 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mt -47.01 -24.71 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.71 39.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -157.98 -45.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.573 HG11 ' CE1' ' A' ' 56' ' ' PHE . 4.3 p -46.02 156.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -105.96 97.92 7.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE1' HG11 ' A' ' 54' ' ' VAL . 3.6 m-85 -88.48 21.68 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -155.8 34.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.17 135.37 38.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -117.07 -7.94 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' O ' ' CE1' ' A' ' 64' ' ' TYR . 5.9 mt -110.49 161.88 15.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.57 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -77.01 -55.86 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.452 ' CE1' ' OE2' ' A' ' 63' ' ' GLU . 10.7 p80 -38.06 -32.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.452 ' OE2' ' CE1' ' A' ' 62' ' ' HIS . 2.5 mm-40 -70.46 -58.58 3.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.57 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 13.1 m-30 -34.21 -48.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.483 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 1.9 mp -45.73 -66.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 67' ' ' ASN . 8.5 mt-30 -43.09 -56.81 3.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' GLN . 1.3 m-20 -39.01 -55.11 1.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.582 ' CD2' HG12 ' A' ' 86' ' ' VAL . 36.1 m-85 -63.44 -46.45 86.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -41.47 -46.54 3.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.1 mt -64.61 -57.22 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.557 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -49.16 -52.41 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -33.66 10.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.68 -32.47 69.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -57.4 -25.26 54.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.511 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.6 m-30 -85.13 -53.83 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -20.1 7.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -76.98 -59.76 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.45 -54.03 34.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.78 55.3 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.7 t -121.7 103.03 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -84.1 67.01 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 36.4 tptt -120.37 122.87 41.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.5 mp -79.31 114.3 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.557 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 14.6 mt -84.73 121.85 74.65 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -74.96 66.35 5.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.582 HG12 ' CD2' ' A' ' 68' ' ' PHE . 34.6 t -63.94 -64.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' VAL . 27.4 t70 -38.58 -31.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 91' ' ' LYS . 33.3 mtpt -89.78 -59.71 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 76.2 mt -44.96 -45.98 10.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.474 HG11 ' CG1' ' A' ' 86' ' ' VAL . 32.7 m -62.25 -35.43 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 88' ' ' LYS . 14.5 mtmt -75.93 -16.99 59.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 63.52 75.79 0.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 95' ' ' GLN . 9.7 mmmt -92.15 12.64 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ASN . 45.3 t80 56.15 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -44.54 -63.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -23.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.446 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -84.54 -38.73 19.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' GLN . 3.1 t80 -77.58 -32.71 53.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -80.92 -11.41 59.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.809 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.9 t80 -99.48 -32.9 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.3 p -75.06 -41.23 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 2.3 pt20 -58.47 -26.07 62.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.568 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 38.6 t90 -84.11 -48.21 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.809 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -54.33 -27.73 37.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.521 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 3.3 tmtt? -82.87 -55.27 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -48.04 -54.64 12.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -56.98 -50.6 72.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 104' ' ' PHE . 1.8 m-85 -47.69 -54.66 11.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -45.15 -58.75 3.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.16 -56.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.43 97.92 0.06 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.43 20.42 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.01 -58.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.1 p 46.76 79.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -139.37 128.29 23.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.025 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p -68.66 168.34 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.4 168.65 24.34 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 p -172.43 167.75 5.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 p -143.59 -53.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.98 -174.63 4.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.123 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -145.26 101.78 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER 60.35 168.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.347 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.498 ' NH2' ' CE1' ' A' ' 11' ' ' HIS . 7.1 mtm105 67.13 -74.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.115 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.498 ' CE1' ' NH2' ' A' ' 10' ' ' ARG . 32.2 m80 -49.86 -21.57 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 109.629 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 10' ' ' ARG . 15.5 t0 -57.18 -40.09 76.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.467 ' CE ' ' HD3' ' A' ' 105' ' ' LYS . 41.4 mmm -81.47 -53.27 6.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.2 mt -42.0 -42.11 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.29 -47.11 83.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 29.1 t90 -46.35 -63.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.3 mp -60.06 -60.8 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' ILE . 39.4 m-20 -38.4 -46.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.41 58.64 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.45 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 59.8 m -156.45 -44.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -126.35 1.93 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 74.58 60.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.407 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -99.19 -156.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -176.13 55.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.7 mt -75.57 146.89 40.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.6 p -113.73 -20.9 10.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -137.79 149.51 46.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.431 HG22 ' CA ' ' A' ' 98' ' ' PHE . 3.8 mm -63.09 -16.35 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.92 -3.93 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -73.18 -8.09 54.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.57 24.34 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.4 p -80.05 -14.34 58.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 108.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -79.17 -53.9 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.75 44.66 4.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.563 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . . . -112.4 -49.26 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.35 -49.93 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -55.27 -50.86 68.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.437 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.2 m -49.87 -62.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.348 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.41 ' NE2' HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -48.56 -52.63 21.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.45 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -51.92 -44.11 63.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.488 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 6.6 mmm -58.77 -62.17 2.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.11 -42.53 4.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.01 -39.33 91.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.554 HD13 ' CE2' ' A' ' 108' ' ' PHE . 98.3 mt -79.83 -58.79 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CD1' ' HE2' ' A' ' 78' ' ' MET . 78.1 m-85 -116.26 108.0 46.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 111.08 3.24 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.76 24.96 8.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.0 p -100.54 -34.8 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.048 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.488 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.0 OUTLIER -117.11 -178.14 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -117.3 60.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -40.66 -29.46 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -89.19 44.85 1.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' ALA . 5.2 ttmt -161.03 -43.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.589 HG12 ' CE1' ' A' ' 56' ' ' PHE . 11.0 p -49.59 150.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 13.7 mmtt -108.5 90.23 3.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.589 ' CE1' HG12 ' A' ' 54' ' ' VAL . 6.5 m-30 -70.05 -34.31 73.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -95.43 43.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.49 129.15 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -113.55 -32.07 6.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.571 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.83 157.56 25.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -69.52 -53.69 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 17.1 p80 -39.66 -37.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.609 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.478 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 1.0 OUTLIER -63.79 -57.65 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 9.1 m-30 -39.6 -42.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.467 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 1.9 mp -52.96 -68.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' ASN . 5.2 mt-30 -45.17 -53.39 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.352 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.9 m-20 -39.21 -50.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.467 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 22.7 m-85 -69.55 -49.12 57.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -40.59 -43.41 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 94.0 mt -67.64 -56.21 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.531 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -48.4 -50.74 29.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -48.55 -37.36 17.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.68 71.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -62.5 -22.59 63.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.482 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.2 m-30 -89.5 -51.9 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -14.86 53.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -83.75 -51.08 7.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.564 ' HE2' ' CD1' ' A' ' 45' ' ' PHE . 74.4 mmm -76.47 -52.94 8.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.67 62.35 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.0 t -130.75 97.43 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.75 66.49 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.572 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 41.7 tptt -114.43 134.91 54.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.5 mm -90.24 112.03 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 29.7 mt -86.89 118.37 69.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -74.97 65.19 6.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 65' ' ' ILE . 45.6 t -60.91 -67.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 86' ' ' VAL . 19.1 t0 -35.75 -36.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.3 mtpp -84.44 -60.93 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 77.1 mt -43.54 -50.58 7.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.458 HG13 ' CG1' ' A' ' 86' ' ' VAL . 30.0 m -58.77 -36.9 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' LYS . 3.8 mmtt -69.45 -21.66 63.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.79 79.23 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -97.85 -3.0 39.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 t80 67.88 -62.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' LYS . 6.0 tt0 -61.69 -48.93 78.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.85 -11.83 49.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.436 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -93.61 -36.17 12.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.431 ' CA ' HG22 ' A' ' 28' ' ' ILE . 2.1 t80 -77.15 -43.09 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -72.1 -13.6 61.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.803 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 19.0 t80 -92.88 -46.73 7.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.442 ' CG2' ' HE2' ' A' ' 13' ' ' MET . 11.5 p -63.56 -53.43 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 7.2 pt20 -44.16 -26.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 46.1 t90 -83.22 -50.65 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 108.0 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.803 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -50.71 -43.21 57.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.535 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 5.5 tttm -62.92 -57.17 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -46.29 -58.49 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -52.27 -55.57 20.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.554 ' CE2' HD13 ' A' ' 44' ' ' LEU . 2.1 m-85 -43.31 -55.81 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.59 -54.76 43.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.12 119.22 3.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -161.55 -73.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.32 3.63 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.5 p -156.13 151.93 27.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.0 m -119.2 154.72 32.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.7 138.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 0.781 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -76.72 107.25 8.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.8 124.22 20.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -147.81 156.68 42.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m -99.19 159.92 14.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.02 -87.46 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.128 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 75.64 -56.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 90.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -159.48 -59.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -59.17 -15.78 16.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.65 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.93 -37.76 85.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.471 ' CE ' ' HD3' ' A' ' 105' ' ' LYS . 45.7 mmm -87.11 -45.61 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' CD2' HD11 ' A' ' 28' ' ' ILE . 5.1 mt -51.11 -43.89 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.57 98.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.456 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 20.6 t90 -47.53 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.476 HG23 ' CD2' ' A' ' 23' ' ' LEU . 2.6 mp -50.75 -56.22 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -42.06 -46.75 4.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.06 56.02 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -153.23 -44.15 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -130.14 8.28 5.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 66.68 68.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.476 ' CD2' HG23 ' A' ' 17' ' ' ILE . 1.2 mm? -102.99 -157.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -177.28 65.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.9 mt -96.01 148.94 22.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -115.18 -16.14 11.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -134.96 143.88 47.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.459 HD11 ' CD2' ' A' ' 14' ' ' LEU . 2.8 mm -64.33 -17.05 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.61 1.52 25.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -80.47 -4.02 52.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.46 32.26 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.56 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 13.8 p -93.67 32.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -117.4 -64.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.85 43.41 1.54 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.0 -52.36 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.736 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.09 -58.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.41 ' CE1' ' HE1' ' A' ' 100' ' ' PHE . 45.1 m-85 -48.82 -60.52 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 m -42.04 -65.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.246 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.459 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -43.59 -44.55 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -46.12 88.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 45' ' ' PHE . 18.1 mmm -58.27 -62.71 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' MET . 2.3 t70 -39.53 -39.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtp -68.38 -46.76 69.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' MET . 52.8 mt -77.18 -65.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' MET . 74.7 m-85 -100.58 108.01 51.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 134.02 17.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.87 39.92 96.89 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.2 p -112.66 -30.88 6.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 0.776 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.489 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.2 OUTLIER -113.91 -166.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 53' ' ' LYS . . . -129.58 56.22 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.533 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -40.69 -29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -89.11 42.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' ALA . 7.0 ttmt -158.27 -46.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.554 HG12 ' CE1' ' A' ' 56' ' ' PHE . 5.6 p -46.39 158.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.47 104.39 13.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.554 ' CE1' HG12 ' A' ' 54' ' ' VAL . 4.5 m-30 -91.64 27.51 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -156.93 24.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.55 123.92 20.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 -8.2 14.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.571 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 8.0 mt -113.55 162.95 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.559 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.5 tt0 -70.28 -56.11 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 10.4 p80 -39.67 -37.0 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.14 -59.76 4.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 32' ' ' CYS . 12.9 m-30 -37.74 -48.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.419 ' N ' HG11 ' A' ' 90' ' ' VAL . 1.2 mp -46.8 -66.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -44.64 -54.5 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.91 -49.1 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.467 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 28.2 m-85 -70.1 -45.36 67.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.67 -44.86 6.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 98.0 mt -65.49 -55.13 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 0.9 OUTLIER -45.68 -58.47 3.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -38.32 -56.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.24 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -38.63 -45.5 1.99 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.2 m-30 -65.18 -55.54 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.52 58.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -159.67 -44.33 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.9 mmm -92.67 -61.87 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 163.21 66.07 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.514 HG12 ' CZ ' ' A' ' 107' ' ' PHE . 6.4 t -140.99 116.27 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.8 68.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.575 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 44.5 tptt -122.15 134.54 54.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.1 mm -97.1 103.79 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.539 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 37.9 mt -69.81 143.03 91.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.99 -58.18 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 67.7 t 64.52 -76.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' PRO . 57.1 t0 -45.69 -25.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 86' ' ' VAL . 4.8 mtpp -89.72 -38.27 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.459 HD12 ' CE1' ' A' ' 68' ' ' PHE . 15.0 mt -69.13 -52.69 25.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 65' ' ' ILE . 19.4 m -59.13 -16.41 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -91.31 -10.41 41.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 46.75 75.74 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.2 OUTLIER -102.92 7.55 39.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.472 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 61.8 t80 63.61 -65.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 93' ' ' LYS . 6.7 tm0? -51.03 -61.33 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.57 -10.8 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -88.7 -30.94 18.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' PHE . 4.0 t80 -95.91 -36.06 11.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -72.38 -4.3 29.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.799 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 14.8 t80 -102.74 -43.19 5.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 102' ' ' GLN . 14.2 p -66.02 -54.96 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.419 ' OE1' ' N ' ' A' ' 103' ' ' TRP . 0.0 OUTLIER -40.38 -47.45 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.247 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.575 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 61.4 t90 -62.09 -55.53 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 108.042 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.799 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -45.6 -56.61 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.471 ' HD3' ' CE ' ' A' ' 13' ' ' MET . 17.4 tttm -50.93 -61.8 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.33 -56.63 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.514 ' CZ ' HG12 ' A' ' 80' ' ' VAL . 64.2 t80 -56.8 -55.4 34.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -42.68 -53.57 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -58.93 -49.44 77.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.3 t 63.27 139.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.35 -114.55 0.37 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.18 3.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.0 m -140.01 165.34 27.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.953 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.0 t -165.69 -57.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.145 . . . . 0.0 110.994 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -120.11 100.73 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 t -131.81 116.67 17.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.89 -164.76 26.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.09 96.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 p -169.46 133.57 1.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.41 -120.03 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -60.84 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 0.731 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -94.7 164.64 12.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.32 144.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m80 63.38 10.6 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.589 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -94.22 -32.86 13.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 102' ' ' GLN . 33.9 mmm -90.5 -35.45 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.39 -43.58 44.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.32 82.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.544 ' CZ2' ' CZ ' ' A' ' 40' ' ' PHE . 38.4 t90 -45.44 -59.23 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.3 mp -61.91 -61.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' ILE . 56.7 m-20 -39.19 -42.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.33 61.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.4 m -161.71 -43.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD2' ' HB3' ' A' ' 39' ' ' GLN . 0.8 OUTLIER -125.55 2.42 7.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 71.26 60.99 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -98.62 -157.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -176.02 56.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.422 ' CD1' HD21 ' A' ' 31' ' ' LEU . 40.8 mt -80.43 148.41 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -111.57 -17.32 13.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -140.65 162.38 35.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.417 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 4.5 mm -74.37 -26.39 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -13.47 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -62.94 -14.17 43.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -94.09 30.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.482 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 26.4 p -94.12 31.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.273 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 p -123.22 -61.0 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.77 52.66 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.042 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.53 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . . . -123.93 -53.85 1.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.88 -56.1 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -50.48 -59.08 4.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.419 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.3 m -43.09 -61.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.451 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -47.92 -47.51 32.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.544 ' CZ ' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -58.29 -40.21 81.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.507 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 15.9 mmm -63.44 -56.63 14.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -48.06 -42.22 28.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -24.07 66.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.549 HD11 ' CE2' ' A' ' 108' ' ' PHE . 55.2 mt -96.75 -57.17 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.417 ' CD2' ' CE ' ' A' ' 78' ' ' MET . 57.9 m-85 -121.94 109.2 34.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.32 3.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.16 -20.88 20.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.9 p -56.17 -35.24 66.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.507 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.0 OUTLIER -118.89 -167.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.56 68.31 1.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.501 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -49.63 -23.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HA ' ' CE ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -91.8 42.43 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -160.08 -44.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.562 HG13 ' CE1' ' A' ' 56' ' ' PHE . 7.4 p -48.79 154.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -104.62 101.81 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.562 ' CE1' HG13 ' A' ' 54' ' ' VAL . 3.4 m-30 -90.52 27.66 1.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -157.15 24.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.45 ' HB3' ' CB ' ' A' ' 63' ' ' GLU . . . -67.02 124.98 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -109.49 -16.2 14.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.493 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 5.3 mt -100.87 162.23 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.546 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -74.67 -55.13 6.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 11.4 p80 -39.31 -34.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' CB ' ' HB3' ' A' ' 58' ' ' ALA . 1.8 mm-40 -68.21 -55.32 12.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.546 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 13.4 m-30 -38.02 -43.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.426 ' N ' HG12 ' A' ' 90' ' ' VAL . 2.0 mp -54.3 -69.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -40.19 -54.93 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -43.1 -53.13 5.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.462 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 26.0 m-85 -65.57 -42.7 91.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -45.25 -46.08 12.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.63 -56.72 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.581 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -49.25 -48.77 45.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.4 -33.75 4.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.02 -37.86 75.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -52.63 -20.19 7.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.486 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 4.9 m-30 -89.5 -64.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.98 -22.42 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -77.56 -37.73 50.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.417 ' CE ' ' CD2' ' A' ' 45' ' ' PHE . 3.9 mmt -88.33 -51.55 5.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.44 56.77 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.444 HG13 ' CD2' ' A' ' 75' ' ' PHE . 79.5 t -112.63 118.21 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -82.25 64.35 6.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 22.6 tptt -138.03 120.62 16.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.2 mm -94.52 85.82 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.581 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 42.1 mt -43.25 142.82 1.52 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.504 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.96 -56.55 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 89' ' ' LEU . 65.5 t 64.36 -77.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -44.39 -26.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 86' ' ' VAL . 6.9 mtpp -89.3 -39.64 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' VAL . 15.3 mt -68.73 -51.99 35.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' VAL . 26.5 m -58.66 -16.71 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' GLY . 21.8 mtmt -92.1 22.93 4.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' LYS . . . 37.77 52.56 1.96 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 97' ' ' ASN . 6.8 mtmt -97.78 82.23 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 93' ' ' LYS . 61.9 t80 -37.54 -46.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.0 84.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -86.05 4.08 39.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -105.33 -31.11 9.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.4 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 2.6 t80 -90.29 -36.45 14.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.01 -7.48 53.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 4.3 t80 -102.9 -37.42 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 98' ' ' PHE . 9.3 p -74.41 -39.59 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.453 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 1.7 pt20 -55.38 -26.73 43.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 33.8 t90 -84.46 -50.91 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.802 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -45.35 -55.61 5.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -52.7 -55.28 23.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.1 -63.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -50.47 -54.25 23.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.549 ' CE2' HD11 ' A' ' 44' ' ' LEU . 2.0 m-85 -48.48 -52.46 22.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -48.94 -48.67 42.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.5 t 58.12 96.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.69 -97.0 0.3 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 53.73 3.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.9 t -171.45 131.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.944 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.93 112.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 m -90.78 161.04 15.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.736 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.85 147.09 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.01 178.96 17.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.106 . . . . 0.0 110.962 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -118.37 155.8 30.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -114.41 -57.81 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.95 -176.41 1.16 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 63.72 123.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.25 173.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.02 -75.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -47.85 -24.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.644 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -54.87 -43.87 73.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 65.5 mmm -78.08 -52.01 9.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 28' ' ' ILE . 4.1 mt -47.23 -41.76 19.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -66.0 -42.69 89.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.486 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 20.2 t90 -44.93 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.3 mp -50.61 -58.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' ILE . 78.9 m-20 -39.73 -44.89 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -97.3 61.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -159.19 -46.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -124.47 -0.21 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.91 68.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.343 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -108.28 -156.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -178.14 53.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.6 mt -82.52 147.2 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.0 p -112.03 -20.44 11.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -128.86 133.56 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.466 HD13 ' CD2' ' A' ' 14' ' ' LEU . 4.4 mm -54.07 -28.77 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -13.26 29.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -61.49 -15.93 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.268 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.17 23.97 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.0 p -70.89 -23.69 62.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 108.325 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -72.43 -52.86 14.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.61 53.07 2.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.408 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . . . -119.6 -48.06 2.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.73 -48.56 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -55.8 -52.02 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.446 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.0 OUTLIER -49.82 -61.45 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 108.341 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.466 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -48.08 -54.35 13.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.408 ' N ' HD23 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -48.88 -46.9 43.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.494 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 12.3 mmm -57.33 -63.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.23 -31.29 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.13 -34.59 66.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 108' ' ' PHE . 92.6 mt -88.29 -57.73 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CD2' ' HE3' ' A' ' 78' ' ' MET . 40.8 m-85 -114.6 105.36 53.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.61 5.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.52 25.51 13.58 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.485 1.115 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.7 p -104.81 -32.71 8.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 0.791 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.494 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -117.6 -167.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -131.31 64.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.486 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 1.7 mt -46.59 -25.25 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.61 42.57 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -159.47 -44.95 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.575 HG11 ' CE1' ' A' ' 56' ' ' PHE . 7.7 p -47.94 151.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -103.28 104.61 14.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CE1' HG11 ' A' ' 54' ' ' VAL . 4.5 m-30 -92.02 16.69 10.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -145.14 23.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.453 ' HB1' ' CB ' ' A' ' 63' ' ' GLU . . . -67.78 126.35 29.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -18.47 12.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 6.7 mt -99.18 162.88 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.8 tt0 -74.29 -55.15 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 11.3 p80 -39.51 -33.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' CB ' ' HB1' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -69.4 -56.1 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 12.7 m-30 -37.17 -49.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.42 ' N ' HG12 ' A' ' 90' ' ' VAL . 1.6 mp -47.61 -61.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -45.3 -55.7 5.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -41.37 -51.29 3.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.464 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 44.0 m-85 -67.17 -46.02 75.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -42.25 -46.94 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 94.7 mt -65.51 -57.06 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.8 tm? -46.6 -54.83 8.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.54 -58.87 2.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.78 -33.83 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -54.23 -34.52 53.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.564 ' CD2' HG11 ' A' ' 80' ' ' VAL . 6.5 m-30 -77.27 -46.68 22.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -19.52 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -79.46 -46.71 16.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.553 ' HE3' ' CD2' ' A' ' 45' ' ' PHE . 60.5 mmm -81.64 -66.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 146.53 56.84 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.564 HG11 ' CD2' ' A' ' 75' ' ' PHE . 96.3 t -109.7 111.24 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.87 69.2 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 48.7 tptt -142.09 122.16 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.5 mt -99.48 87.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.569 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 22.2 mt -48.38 139.75 10.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.478 ' O ' ' N ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.02 -51.76 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 95.2 t 65.94 -71.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 1.8 t0 -48.27 -23.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 86' ' ' VAL . 22.4 mtpt -90.97 -35.78 14.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' VAL . 24.3 mt -74.28 -54.76 7.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 86' ' ' VAL . 22.7 m -56.34 -18.57 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 12.7 mmmt -77.43 -14.84 59.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.28 35.58 37.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.39 93.57 8.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -45.62 -44.95 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.89 -60.78 3.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -57.35 -18.04 15.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -87.47 -49.55 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.416 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 38.1 t80 -65.26 -33.28 75.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -80.25 -8.81 59.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.803 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.2 t80 -104.69 -27.28 11.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.416 ' CG1' ' HA ' ' A' ' 98' ' ' PHE . 14.2 p -80.62 -47.09 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -21.37 3.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 64.9 t90 -90.45 -58.21 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.03 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.803 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -43.1 -33.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.486 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 4.5 tmtt? -75.57 -50.87 14.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.08 -58.31 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -54.44 -47.89 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.5 ' CE2' HD11 ' A' ' 44' ' ' LEU . 2.1 m-85 -54.0 -26.98 28.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.07 28.35 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -114.32 170.32 8.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.23 149.31 10.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.65 38.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 m 59.93 85.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.9 147.5 51.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.007 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.91 160.44 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 0.743 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.14 149.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.7 -116.67 1.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m 64.31 155.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 m -92.72 -49.85 5.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.36 161.82 16.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER 179.69 -62.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 8' ' ' GLN . 1.3 mtt180 40.87 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -169.25 -65.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -57.84 -16.08 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.624 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -56.08 -52.18 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 16' ' ' TRP . 74.7 mmm -73.53 -53.23 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' A' ' 26' ' ' THR . 5.0 mt -39.62 -46.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.214 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -65.08 -46.85 79.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.561 ' CH2' ' HA ' ' A' ' 105' ' ' LYS . 29.9 t90 -44.15 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mp -50.52 -59.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 24' ' ' ASN . 86.4 m-20 -43.41 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -40.7 -68.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 40' ' ' PHE . 66.9 m -38.28 -38.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 54.4 mt -114.52 -130.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -145.68 43.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 23' ' ' LEU . 2.9 mm? -99.84 -167.77 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 26.5 t30 -166.8 39.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.9 mt -57.44 143.6 39.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.438 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.5 t -102.75 -26.1 13.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -127.86 163.87 23.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.453 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 2.4 mm -74.68 -32.05 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -15.29 22.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -61.92 -13.99 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -91.9 29.2 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.3 p -92.86 19.28 7.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 108.279 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 p -110.21 -59.0 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.01 47.77 2.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.564 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -118.48 -54.3 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.82 -58.42 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -45.89 -50.34 14.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.442 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -50.02 -54.4 20.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 108.276 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -51.66 -58.61 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -44.01 -48.76 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.489 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 24.1 mmm -55.95 -60.09 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.83 -43.42 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.8 ttp -61.33 -37.26 82.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.543 HD11 ' CE2' ' A' ' 108' ' ' PHE . 52.6 mt -84.17 -67.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' MET . 35.2 m-85 -111.15 105.93 57.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 121.67 6.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.91 -21.53 37.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.3 p -58.22 -31.79 67.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.489 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -117.92 -171.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -128.63 61.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.414 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -43.33 -27.32 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.32 42.4 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' ALA . 15.2 ttpt -160.88 -44.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.567 HG11 ' CE1' ' A' ' 56' ' ' PHE . 6.7 p -47.31 146.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -103.89 93.17 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CE1' HG11 ' A' ' 54' ' ' VAL . 4.0 m-30 -73.16 -34.93 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.02 40.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.475 ' HB3' ' CB ' ' A' ' 63' ' ' GLU . . . -86.39 131.38 34.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.88 -30.96 5.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.86 153.42 27.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -66.51 -56.7 9.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 13.4 p80 -37.72 -38.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.593 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -62.09 -59.61 4.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 12.2 m-30 -38.05 -50.81 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.448 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 3.4 mp -42.84 -63.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ASN . 9.2 mt-30 -51.77 -55.09 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 66' ' ' GLN . 1.5 m-20 -37.65 -46.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.462 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 37.3 m-85 -72.57 -47.04 51.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -41.39 -42.47 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.25 -55.62 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.9 tm? -51.96 -54.36 30.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.91 -40.18 13.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.18 -33.47 75.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -54.35 -31.51 50.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.477 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.3 m-30 -77.78 -53.77 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -26.13 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -72.56 -45.0 61.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.5 mmt -82.0 -56.36 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 75' ' ' PHE . . . 138.9 56.92 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.41 HG13 ' CD2' ' A' ' 75' ' ' PHE . 76.6 t -124.97 101.17 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.96 65.3 6.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 45.6 tptt -116.71 121.3 41.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.6 mm -78.91 114.8 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.541 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 16.8 mt -87.14 122.09 71.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.04 65.93 6.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.526 1.803 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.478 ' CG1' HG13 ' A' ' 90' ' ' VAL . 55.9 t -63.08 -64.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -38.91 -30.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.0 mtpp -90.45 -60.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 81.3 mt -44.21 -45.17 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.478 HG13 ' CG1' ' A' ' 86' ' ' VAL . 31.6 m -63.84 -36.18 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 88' ' ' LYS . 13.8 mttp -66.33 -24.78 66.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.42 100.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.81 27.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 96' ' ' ASP . 39.4 t80 53.08 177.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.424 ' N ' ' CD2' ' A' ' 94' ' ' PHE . 0.3 OUTLIER 65.56 -69.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.4 m-20 -61.64 -16.27 47.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.436 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 1.6 m-80 -90.43 -37.1 14.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.41 ' CA ' HG23 ' A' ' 28' ' ' ILE . 1.8 t80 -80.42 -40.97 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.07 -7.53 36.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.816 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 13.8 t80 -100.3 -50.1 4.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.7 p -58.8 -55.62 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 1.4 pp0? -39.54 -47.82 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 64.9 t90 -62.43 -55.77 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.816 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -46.82 -51.63 16.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.561 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 3.6 tmtt? -55.21 -64.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.56 -55.4 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -55.01 -50.23 69.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.543 ' CE2' HD11 ' A' ' 44' ' ' LEU . 1.5 m-85 -53.76 -54.62 35.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -41.13 -51.75 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.8 t 61.91 126.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 165.17 100.81 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.92 5.46 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.1 t -168.45 91.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.2 p -93.26 147.37 22.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.42 155.71 30.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.94 155.15 31.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.45 87.79 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -158.53 132.92 8.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 0.783 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.05 -59.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.049 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.32 148.31 8.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -52.87 4.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 0.771 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -89.62 177.54 6.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 0.1 OUTLIER 68.6 -66.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.272 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -13.97 24.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.625 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.77 -54.95 40.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 16' ' ' TRP . 78.1 mmm -66.34 -52.46 46.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.415 ' N ' HD22 ' A' ' 14' ' ' LEU . 5.1 mt -43.55 -42.96 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.74 91.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.522 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 42.4 t90 -49.73 -48.93 49.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.9 mp -74.22 -62.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 26.3 m-20 -40.42 -60.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' O ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -79.95 53.31 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 19' ' ' GLU . 58.5 m -172.25 -40.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 39' ' ' GLN . 80.5 mt -115.71 -1.01 12.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 23' ' ' LEU . 2.2 mt-30 65.76 11.22 7.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -53.48 -172.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -158.41 72.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HB3' ' CB ' ' A' ' 30' ' ' GLN . 16.2 mt -112.68 141.52 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.451 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 1.7 t -101.62 -27.84 12.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -121.89 165.34 16.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.9 mm -75.63 -38.81 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.03 -20.01 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 10.4 mm-40 -58.56 -17.02 18.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.59 29.72 1.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.481 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 30.8 p -93.47 20.53 7.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p -108.47 -61.97 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.6 48.72 1.01 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.535 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -119.23 -54.88 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.65 -63.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -41.27 -55.29 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.445 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.1 m -46.11 -60.19 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.462 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.39 -59.07 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.495 ' CE2' ' CZ3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -44.16 -53.4 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.492 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 22.5 mmm -52.49 -61.18 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' MET . 1.2 t70 -39.63 -43.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 ttm -62.62 -47.39 83.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 108' ' ' PHE . 83.0 mt -72.27 -64.79 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' MET . 53.0 m-85 -115.88 103.72 53.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.43 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.55 -27.54 12.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.2 p -55.36 -29.88 59.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 0.756 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.492 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -118.81 -170.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.9 67.55 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.514 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -50.18 -22.84 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.78 39.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -157.85 -45.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.554 HG11 ' CE1' ' A' ' 56' ' ' PHE . 5.6 p -46.09 153.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -102.73 99.05 8.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.554 ' CE1' HG11 ' A' ' 54' ' ' VAL . 3.1 m-85 -88.54 32.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -168.03 30.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.233 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.76 132.71 41.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.51 -31.38 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.52 155.34 23.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -67.82 -54.02 22.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 16.2 p80 -39.81 -36.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.467 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 0.4 OUTLIER -64.23 -53.43 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.481 ' CD2' ' O ' ' A' ' 32' ' ' CYS . 8.7 m-30 -43.55 -41.35 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.437 ' N ' HG12 ' A' ' 90' ' ' VAL . 1.1 mp -56.5 -69.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -42.47 -52.96 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -42.71 -51.9 5.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.47 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 23.5 m-85 -66.96 -44.0 81.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -44.0 -44.07 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.9 mt -66.2 -57.86 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.8 tm? -48.9 -46.89 43.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.3 -46.38 25.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.99 66.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -58.72 -20.5 47.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.49 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.3 m-30 -94.18 -58.13 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.95 -28.52 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 72.7 mtt-85 -72.75 -39.39 66.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.9 mmt -85.61 -67.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 147.91 52.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.471 HG11 ' CD2' ' A' ' 75' ' ' PHE . 51.4 t -108.29 119.71 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.48 66.86 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 23.1 tptt -141.08 111.5 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.4 mm -90.2 84.64 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.569 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 59.3 mt -41.94 139.83 1.6 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 87' ' ' ASP . 18.2 Cg_endo -75.02 -52.51 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 98.7 t 65.31 -73.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 43.4 t0 -45.4 -25.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 86' ' ' VAL . 3.5 mtpp -88.83 -39.12 14.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' VAL . 14.9 mt -70.43 -55.71 8.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 65' ' ' ILE . 24.1 m -54.65 -30.08 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 8.1 mmmt -72.9 -23.26 60.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.04 70.7 1.02 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -102.46 12.63 36.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 97' ' ' ASN . 46.9 t80 57.51 -80.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' LYS . 54.7 tt0 -46.3 -55.52 7.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -52.79 -21.14 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.7 OUTLIER -91.47 -56.5 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.423 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 2.6 t80 -57.04 -39.09 74.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.422 ' HG3' ' CG ' ' A' ' 95' ' ' GLN . 30.7 mm-40 -76.03 -4.75 43.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.0 t80 -108.1 -32.87 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 98' ' ' PHE . 14.5 p -76.99 -44.06 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.6 pt20 -55.98 -23.37 32.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 28.2 t90 -87.81 -44.23 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.044 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -56.6 -25.56 53.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.522 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 5.2 tmtt? -85.24 -54.12 4.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -51.75 25.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -56.41 -54.94 39.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.545 ' CD2' HD12 ' A' ' 44' ' ' LEU . 1.7 m-85 -45.72 -49.42 14.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.2 -57.04 5.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.3 t -151.31 139.65 20.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -153.7 93.03 0.13 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 54.11 3.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.5 114.87 20.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.2 m 63.38 -89.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -110.02 86.66 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -166.34 103.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.79 66.49 0.48 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 p -91.07 -57.71 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.979 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -68.88 122.5 18.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.92 56.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -171.67 113.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -52.2 176.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.456 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 0.1 OUTLIER 69.99 -71.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -55.56 -18.89 8.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.616 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -54.83 -52.29 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' TRP . 85.5 mmm -70.5 -53.25 16.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' CD2' HD12 ' A' ' 28' ' ' ILE . 4.1 mt -42.53 -42.45 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.16 90.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.524 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 26.7 t90 -46.16 -77.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -46.95 -53.91 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -43.9 -46.3 7.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.63 59.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 16' ' ' TRP . 3.1 m -157.37 -44.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.963 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 1.3 mt -128.99 4.36 5.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 70.39 71.71 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -107.24 -159.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -176.9 68.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.0 mt -98.0 145.09 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.461 ' CG2' ' HG3' ' A' ' 27' ' ' LYS . 9.5 t -105.89 -21.88 13.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HG3' ' CG2' ' A' ' 26' ' ' THR . 45.1 mtpt -128.96 158.4 38.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 14' ' ' LEU . 3.2 mm -74.62 -28.92 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -66.57 -9.88 39.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -66.31 -10.7 45.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.437 ' CD1' ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -93.44 27.14 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.5 p -94.47 32.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 108.336 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 p -116.87 -49.81 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.13 49.05 3.62 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.483 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -123.74 -57.31 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -38.58 -56.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -49.64 -56.82 8.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 41' ' ' MET . 1.3 m -44.78 -68.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -41.0 -53.26 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -49.21 58.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.475 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 14.7 mmm -54.34 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -44.02 -33.08 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -72.38 -40.19 67.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 108' ' ' PHE . 94.2 mt -83.98 -64.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' MET . 82.9 m-85 -101.78 109.82 60.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.3 7.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.08 40.45 13.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.2 p -112.6 -34.1 5.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 41' ' ' MET . 0.0 OUTLIER -120.65 -176.99 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -122.25 66.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.413 HD22 ' CZ ' ' A' ' 56' ' ' PHE . 1.3 mt -46.4 -25.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' CD ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.47 41.43 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -160.58 -44.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.547 HG12 ' CE1' ' A' ' 56' ' ' PHE . 5.8 p -47.15 153.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -104.09 100.6 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.547 ' CE1' HG12 ' A' ' 54' ' ' VAL . 3.1 m-85 -89.76 36.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -172.09 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.07 131.4 43.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.48 -7.09 11.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 6.9 mt -114.66 154.42 28.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 mt-10 -65.41 -54.23 31.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 17.7 p80 -39.75 -33.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.618 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.445 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 0.4 OUTLIER -68.87 -60.22 2.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 14.2 m-30 -37.01 -42.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.455 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 1.1 mp -53.33 -72.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' ASN . 15.9 mt-30 -42.33 -54.11 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' GLN . 3.0 m-20 -39.92 -53.36 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.477 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 14.0 m-85 -66.49 -45.17 80.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -42.89 -43.98 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.0 mt -66.54 -55.21 19.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.537 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -50.42 -52.44 37.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.415 ' NE2' HG13 ' A' ' 84' ' ' ILE . 2.5 tp60 -50.71 -37.98 44.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.92 -22.66 66.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -71.19 -17.53 75.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.547 ' CD2' HG11 ' A' ' 80' ' ' VAL . 6.2 m-30 -89.65 -49.27 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -36.57 82.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -56.84 -50.68 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.4 mmm -79.42 -66.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 156.83 65.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.547 HG11 ' CD2' ' A' ' 75' ' ' PHE . 78.1 t -135.28 113.38 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -95.49 67.0 2.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 43.4 tptt -117.1 123.91 47.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.8 mm -79.15 109.82 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.537 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 17.9 mt -83.49 118.63 72.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -75.03 65.91 6.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.479 ' CG1' HG12 ' A' ' 90' ' ' VAL . 39.2 t -64.24 -63.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' VAL . 43.6 t0 -39.32 -30.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 91' ' ' LYS . 24.5 mtpt -90.96 -59.49 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 73.5 mt -44.32 -42.97 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.479 HG12 ' CG1' ' A' ' 86' ' ' VAL . 35.3 m -68.19 -35.41 71.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 88' ' ' LYS . 9.2 mtpt -71.96 -15.14 62.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.3 64.31 2.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 96' ' ' ASP . 14.7 mmtt -99.52 84.26 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -37.88 -34.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.461 ' CG ' ' OE2' ' A' ' 99' ' ' GLU . 27.8 tt0 -70.12 -50.29 42.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.448 ' OD2' ' CB ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -85.21 9.71 14.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.455 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 1.4 m-80 -107.51 -31.5 8.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -94.69 -32.66 13.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.461 ' OE2' ' CG ' ' A' ' 95' ' ' GLN . 41.9 mt-10 -80.7 -11.13 59.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.806 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 1.3 t80 -97.22 -33.48 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 8.4 p -77.02 -36.96 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 9.8 pt20 -60.8 -29.29 69.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 21.9 t90 -82.17 -45.69 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 107.988 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.806 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -52.53 -44.27 65.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.524 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 13.1 tttt -61.96 -60.42 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -60.23 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -53.4 -46.43 69.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.571 ' CE2' HD12 ' A' ' 44' ' ' LEU . 2.2 m-85 -58.33 -31.98 68.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.3 28.48 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.7 124.24 10.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -61.51 -69.18 1.37 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 169.77 21.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.6 t 43.61 85.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.54 155.97 32.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -168.07 89.07 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.4 135.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.93 -168.74 45.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -100.85 126.54 47.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -166.28 147.88 6.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.37 -147.67 17.14 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -142.3 -56.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -76.6 176.99 7.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 0.1 OUTLIER 68.94 -68.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.442 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -61.42 -14.27 26.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.564 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -53.57 -60.28 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 16' ' ' TRP . 82.5 mmm -63.15 -54.19 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt -40.82 -44.76 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.79 -49.62 77.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 38.5 t90 -46.35 -59.81 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.04 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.489 ' CG2' HD22 ' A' ' 23' ' ' LEU . 3.5 mp -61.19 -59.91 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -40.28 -45.22 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 55.12 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -155.98 -44.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.5 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -131.32 7.86 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 64.9 46.72 2.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.259 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' CD2' ' HB2' ' A' ' 21' ' ' LEU . 1.9 mm? -67.23 -177.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.5 54.16 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.1 mt -99.18 145.46 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.453 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 64.4 p -113.87 -22.59 10.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -127.62 165.85 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.415 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 5.7 mm -74.93 -31.72 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -18.15 57.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -60.42 -15.2 24.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -93.06 28.74 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.43 -2.28 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 p -85.5 -63.3 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.7 45.56 1.63 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.565 1.165 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.518 ' HB3' ' CE1' ' A' ' 56' ' ' PHE . . . -115.68 -53.4 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -40.1 -58.74 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -45.86 -54.19 8.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.451 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.2 m -50.57 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.48 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -41.49 -46.78 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.436 ' CE2' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -56.37 -47.42 78.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 45' ' ' PHE . 15.7 mmm -58.01 -62.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -40.91 -33.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -44.71 52.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.54 HD12 ' CD2' ' A' ' 108' ' ' PHE . 89.0 mt -80.9 -65.73 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' MET . 34.8 m-85 -98.71 109.35 52.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 137.56 21.94 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.35 42.02 97.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 92.2 p -113.32 -30.04 7.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.478 ' CD1' ' HA3' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -118.14 -170.19 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.56 57.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.591 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -44.82 -25.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -88.15 39.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.83 -45.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.444 HG11 ' CE1' ' A' ' 56' ' ' PHE . 5.3 p -45.51 161.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -115.83 101.68 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.3 m-85 -89.35 32.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -162.92 29.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.63 125.28 25.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.59 -7.24 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 9.4 mt -119.98 158.47 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -68.34 -55.33 12.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 14.5 p80 -38.48 -32.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 61' ' ' GLU . 2.4 mm-40 -69.52 -57.26 5.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.572 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 13.2 m-30 -37.96 -49.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.477 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 1.2 mp -42.74 -65.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -44.95 -53.75 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -42.98 -49.48 5.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.495 ' CD2' HG13 ' A' ' 86' ' ' VAL . 44.8 m-85 -70.77 -46.94 62.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -45.09 -43.38 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 93.6 mt -67.79 -58.2 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.552 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.2 tm? -43.11 -54.1 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 75' ' ' PHE . 4.7 tp60 -38.18 -49.62 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.59 -47.74 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.478 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -40.4 -42.89 2.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 m-30 -71.06 -62.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -70.19 60.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.453 ' CG ' ' O ' ' A' ' 76' ' ' LYS . 43.2 mtt-85 -164.91 -42.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.429 ' HG3' ' CD2' ' A' ' 45' ' ' PHE . 44.4 mmm -95.44 -37.54 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 136.61 69.31 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.413 ' HB ' ' CB ' ' A' ' 75' ' ' PHE . 5.2 t -148.23 126.64 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -117.13 64.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.573 ' HE2' ' CE3' ' A' ' 103' ' ' TRP . 27.9 tptt -111.34 134.87 52.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.3 mm -86.29 109.78 19.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.552 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 16.9 mt -82.5 115.64 59.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.05 64.09 6.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.783 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.495 HG13 ' CD2' ' A' ' 68' ' ' PHE . 25.6 t -59.17 -61.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.467 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 2.2 t0 -39.05 -40.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 91' ' ' LYS . 20.4 mtpp -81.21 -60.73 2.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.494 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 82.4 mt -42.9 -52.38 5.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.481 HG11 ' CG1' ' A' ' 86' ' ' VAL . 21.5 m -62.44 -34.49 64.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -75.05 -14.0 60.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' LYS . . . 64.15 75.95 0.33 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.6 OUTLIER -95.15 6.86 47.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 0.736 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.447 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 40.3 t80 57.03 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -48.67 -52.54 22.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -16.89 15.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.494 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -91.67 -35.26 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -80.5 -37.45 31.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -78.42 -7.84 57.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.812 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 4.4 t80 -101.2 -34.22 9.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 102' ' ' GLN . 14.4 p -73.64 -54.89 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.426 ' N ' ' CG1' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -41.82 -32.2 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CE3' ' HE2' ' A' ' 82' ' ' LYS . 71.5 t90 -77.79 -56.43 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.052 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.812 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -44.55 -40.8 5.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.475 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 4.3 tmtt? -68.06 -53.97 21.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -58.28 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -52.36 -59.32 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.54 ' CD2' HD12 ' A' ' 44' ' ' LEU . 2.0 m-85 -39.61 -58.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -54.0 -52.99 59.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.1 t -45.81 144.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.985 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.36 147.64 6.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 154.63 42.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.781 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.5 t 45.34 88.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.8 m -143.85 117.84 9.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.568 1.168 . . . . 0.0 110.964 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t -140.37 -57.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.93 108.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.61 158.35 27.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -154.75 133.6 12.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 0.767 . . . . 0.0 109.982 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -173.51 134.79 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.9 175.2 14.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -113.84 -46.38 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.12 175.8 7.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 70.7 -59.96 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.238 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.536 ' CE1' ' HB1' ' A' ' 15' ' ' ALA . 25.7 t-80 -72.39 -4.95 33.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.608 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -64.37 -35.6 81.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.405 ' SD ' HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -88.08 -50.51 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mt -45.6 -45.9 14.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.536 ' HB1' ' CE1' ' A' ' 11' ' ' HIS . . . -61.05 -45.93 92.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.515 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 25.0 t90 -46.6 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 107.972 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.7 mp -55.61 -58.51 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 96.6 m-20 -40.05 -46.35 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.63 56.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.443 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 61.6 m -152.58 -44.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -129.25 5.33 5.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 71.77 68.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -108.16 -158.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -171.85 58.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.2 mt -78.86 140.75 38.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.91 -30.05 8.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.77 147.52 50.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.465 HG21 ' CA ' ' A' ' 98' ' ' PHE . 2.7 mm -60.1 -17.49 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.06 -4.48 38.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -71.29 -13.4 61.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.99 27.02 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.9 p -81.69 -19.14 42.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 108.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -72.4 -63.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.86 48.45 1.62 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.574 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . . . -118.07 -48.92 2.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -40.12 -54.23 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -50.87 -56.68 11.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.428 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -44.49 -65.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.338 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -45.44 -60.1 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -42.89 -53.84 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.483 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 12.3 mmm -49.15 -63.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.25 -44.27 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -60.91 -42.16 97.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' MET . 93.1 mt -77.38 -61.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' MET . 97.3 m-85 -108.72 109.81 61.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 111.45 3.33 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.6 42.01 4.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 45' ' ' PHE . 3.7 p -115.09 -33.62 5.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.483 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -114.77 -175.11 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -119.97 60.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -44.18 -27.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.87 42.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -160.74 -44.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.572 HG13 ' CE1' ' A' ' 56' ' ' PHE . 6.8 p -46.19 153.37 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -109.51 99.31 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 35' ' ' ALA . 4.5 m-30 -81.91 -25.91 34.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -99.92 29.68 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB3' ' CB ' ' A' ' 63' ' ' GLU . . . -76.62 126.08 30.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.25 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -112.03 -32.87 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -79.81 162.09 25.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.515 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.1 tt0 -78.11 -42.45 31.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.622 ' CD2' ' HG2' ' A' ' 63' ' ' GLU . 20.4 p-80 -52.16 -26.86 12.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.579 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.622 ' HG2' ' CD2' ' A' ' 62' ' ' HIS . 1.5 mm-40 -74.49 -55.99 5.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 11.9 m-30 -36.73 -47.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.442 ' N ' HG11 ' A' ' 90' ' ' VAL . 2.9 mp -47.21 -66.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -43.02 -54.61 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -40.36 -55.05 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.488 ' CE1' HD11 ' A' ' 89' ' ' LEU . 48.9 m-85 -64.78 -46.82 80.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.27 -46.28 3.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 90.2 mt -67.14 -56.79 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.574 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -47.13 -49.27 22.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.36 -45.08 35.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.53 64.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -65.11 -26.84 71.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.564 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.0 m-30 -84.61 -47.95 10.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -24.06 66.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.5 mtt-85 -77.43 -56.79 4.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.1 mmt -65.3 -57.01 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.83 45.94 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.543 HG13 ' CZ ' ' A' ' 107' ' ' PHE . 95.2 t -96.99 107.18 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.37 69.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' CB ' ' CH2' ' A' ' 103' ' ' TRP . 41.7 tptt -142.58 139.19 31.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mt -111.56 93.7 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.574 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 48.0 mt -53.17 138.37 47.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 87' ' ' ASP . 18.1 Cg_endo -74.98 -53.85 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 97.4 t 65.33 -74.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -35.43 -42.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -49.6 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.488 HD11 ' CE1' ' A' ' 68' ' ' PHE . 61.1 mt -53.12 -59.74 4.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.442 HG11 ' N ' ' A' ' 65' ' ' ILE . 35.7 m -53.95 -29.75 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 8.9 mmmt -76.47 -21.59 55.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.58 76.95 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 95' ' ' GLN . 4.7 mtmt -108.69 23.02 15.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 45.3 t80 55.95 -84.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -44.78 -60.81 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -45.14 -25.73 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.438 ' HB3' ' CG2' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -90.33 -51.12 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.486 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 2.3 t80 -59.47 -39.33 83.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.38 -2.25 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.809 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 5.6 t80 -110.53 -40.35 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' A' ' 98' ' ' PHE . 6.1 p -71.06 -35.76 60.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.472 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 1.5 pp0? -63.92 -40.56 96.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CH2' ' CB ' ' A' ' 82' ' ' LYS . 41.6 t90 -69.59 -55.03 11.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.809 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -42.89 -45.61 5.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.515 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 12.5 tttp -61.87 -56.45 19.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.35 -50.09 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.543 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 47.8 t80 -63.39 -56.64 14.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.403 ' CD2' HD11 ' A' ' 44' ' ' LEU . 1.5 m-85 -44.86 -43.94 9.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.35 -42.13 86.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.9 t 62.14 -84.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -177.33 110.27 0.3 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 53.93 3.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.0 88.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.1 t -92.27 -59.37 2.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.1 p -157.89 79.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.86 135.69 35.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.88 -70.45 0.43 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.22 150.43 38.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.963 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.95 152.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.72 -179.17 20.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 179.52 124.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 110.309 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.97 171.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.87 -70.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -20.9 3.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -57.77 -48.01 80.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' TRP . 72.4 mmm -74.58 -51.94 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 28' ' ' ILE . 3.9 mt -44.95 -42.27 8.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.69 98.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.507 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 15.4 t90 -46.06 -75.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 mp -48.88 -57.23 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -41.19 -45.14 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.28 60.14 1.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.444 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 12.0 m -157.82 -44.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.401 ' CD2' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -128.91 4.83 5.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.32 72.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -109.79 -157.72 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -175.67 52.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.0 mt -82.12 149.13 28.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.3 p -113.93 -18.55 11.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.57 143.01 50.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 14' ' ' LEU . 3.6 mm -62.26 -30.07 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 94' ' ' PHE . 6.9 mt-10 -62.01 -13.74 28.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -63.92 -16.59 61.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.31 28.84 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.0 p -87.38 1.55 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 p -91.82 -32.58 15.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.17 50.69 26.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.569 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . . . -119.97 -50.95 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.97 -58.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -47.25 -52.37 16.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -49.51 -65.71 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.313 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -48.34 -45.5 35.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.444 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -58.07 -37.35 74.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.504 ' O ' ' N ' ' A' ' 45' ' ' PHE . 17.8 mmm -68.42 -66.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 41' ' ' MET . 0.4 OUTLIER -38.02 -31.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' MET . 2.0 ttp -75.97 -51.79 11.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.559 HD11 ' CE2' ' A' ' 108' ' ' PHE . 78.8 mt -71.53 -53.66 13.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 41' ' ' MET . 60.0 m-85 -107.96 113.42 61.01 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 126.52 10.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.428 1.752 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.72 54.13 33.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 45' ' ' PHE . 2.5 p -121.13 -35.61 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.499 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -111.35 -165.8 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -132.48 61.06 1.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mt -45.69 -25.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.94 40.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -158.59 -45.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.509 HG12 ' CE1' ' A' ' 56' ' ' PHE . 5.3 p -47.91 156.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 1.3 mmpt? -115.69 87.49 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 35' ' ' ALA . 3.2 m-85 -69.07 -32.66 72.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -95.46 39.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.69 130.46 34.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.87 -31.42 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.82 156.57 26.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -68.76 -54.25 17.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 15.9 p80 -39.85 -37.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.478 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 1.1 mm-40 -63.43 -53.84 45.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.562 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 8.7 m-30 -42.93 -43.27 4.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.441 ' N ' HG13 ' A' ' 90' ' ' VAL . 1.1 mp -54.91 -68.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -42.33 -53.15 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.5 m-20 -42.55 -53.19 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.469 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 28.7 m-85 -66.24 -44.75 82.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -43.63 -43.49 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.7 mt -69.38 -55.64 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.511 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -48.58 -54.8 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.0 -37.51 4.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.47 96.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -45.77 -41.11 9.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.158 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.558 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.3 m-30 -63.62 -56.6 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -70.26 60.29 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 75' ' ' PHE . 40.3 mtt180 -160.13 -57.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 30.1 mmm -79.37 -63.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.52 66.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 t -140.39 123.08 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -113.44 65.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 33.7 tptt -120.7 127.84 52.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.2 mm -87.42 105.04 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.511 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 10.9 mt -70.35 142.81 89.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.247 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 18.3 Cg_endo -74.94 -56.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 89' ' ' LEU . 70.5 t 63.79 -77.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.514 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 2.0 m-20 -41.09 -35.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -80.59 -42.53 22.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.372 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 86' ' ' VAL . 20.9 mt -64.23 -57.57 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 65' ' ' ILE . 26.1 m -55.0 -31.7 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 6.5 mmmt -74.37 -3.39 30.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 47.33 71.73 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' GLN . 1.7 mmmt -101.93 9.34 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ASN . 51.0 t80 57.36 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -45.17 -58.81 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -48.3 -24.28 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.8 OUTLIER -89.24 -38.48 14.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.418 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 21.5 t80 -72.01 -37.33 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -77.37 -7.87 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.808 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.7 t80 -104.96 -32.28 8.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.418 ' CG1' ' HA ' ' A' ' 98' ' ' PHE . 14.9 p -75.74 -46.09 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -52.17 -24.61 7.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.565 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 70.5 t90 -86.62 -58.49 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 107.996 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.808 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -44.92 -36.07 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.507 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 6.0 tmtt? -73.98 -54.86 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -52.72 19.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -60.67 -52.76 63.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.559 ' CE2' HD11 ' A' ' 44' ' ' LEU . 1.6 m-85 -44.06 -52.07 7.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -44.69 -61.14 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.88 -78.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.75 -88.28 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.0 42.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.3 t -111.89 107.92 17.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.4 m -88.97 112.66 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.7 p -174.37 93.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 0.782 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.48 157.33 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.79 -92.21 0.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -48.97 -60.64 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.5 p -59.24 151.42 23.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.949 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.91 111.85 3.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -100.37 -55.75 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.27 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -121.4 163.73 18.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 67.23 137.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 71.73 2.97 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -87.1 -43.65 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 105' ' ' LYS . 70.8 mmm -79.83 -43.32 22.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -41.95 -43.5 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.35 84.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 31.1 t90 -47.92 -62.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' CG2' HD22 ' A' ' 23' ' ' LEU . 3.4 mp -57.19 -58.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.3 m-20 -42.35 -45.91 4.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.73 49.91 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.7 m -149.97 -45.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -132.72 7.8 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 67.58 43.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.491 ' CD2' ' HB2' ' A' ' 21' ' ' LEU . 1.7 mm? -66.79 -178.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.04 58.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 30' ' ' GLN . 28.9 mt -98.98 144.83 27.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -113.86 -25.25 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.438 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -131.01 140.29 50.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.436 HD13 ' CD1' ' A' ' 31' ' ' LEU . 2.2 mm -46.77 -48.37 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -40.14 -29.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . 23.8 mm-40 -48.83 -22.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' CD1' HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -91.59 31.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' GLU . 23.0 p -89.91 -15.15 32.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 108.323 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.8 p -78.88 -61.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.88 51.5 0.95 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.568 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -113.36 -55.68 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.75 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -38.56 -59.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -43.6 -48.55 7.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.439 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -55.25 -65.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.492 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -49.65 -51.36 38.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -44.9 52.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.483 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 12.3 mmm -58.87 -59.26 5.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.56 -40.74 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -32.9 74.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.542 HD13 ' CE2' ' A' ' 108' ' ' PHE . 87.3 mt -91.42 -70.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' MET . 86.4 m-85 -98.08 109.47 51.89 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.51 11.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.84 38.77 41.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p -112.83 -31.24 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.002 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.483 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.0 OUTLIER -119.29 -177.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.38 64.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.463 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -46.32 -27.21 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 43.75 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -162.36 -44.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 56' ' ' PHE . 6.8 p -49.49 149.61 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 12.3 mmtm -107.92 87.83 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CE1' HG11 ' A' ' 54' ' ' VAL . 3.4 m-30 -66.88 -40.84 87.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.16 44.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.61 127.82 35.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -111.06 -32.19 6.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.02 158.22 25.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.583 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -68.87 -55.95 9.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 12.9 p80 -38.98 -39.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.432 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -59.35 -56.25 24.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.583 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 7.5 m-30 -41.77 -52.15 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.044 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.6 mp -45.9 -69.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' ASN . 13.6 mt-30 -41.52 -57.83 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.2 m-20 -39.67 -53.11 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.467 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 41.1 m-85 -66.2 -45.98 78.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -42.59 -42.02 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.85 -56.9 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.602 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.9 tm? -47.77 -50.68 24.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.24 -40.33 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.48 78.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.03 -24.97 22.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.485 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.8 m-30 -85.5 -57.82 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -18.09 34.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -75.83 -43.18 47.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 48.9 mmm -90.05 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.06 69.25 0.01 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.419 HG13 ' CD2' ' A' ' 75' ' ' PHE . 55.8 t -121.57 107.99 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 70.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.573 ' CG ' ' CH2' ' A' ' 103' ' ' TRP . 47.2 tptt -145.13 137.05 25.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mt -116.1 91.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.602 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 47.7 mt -53.78 141.37 47.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 87' ' ' ASP . 18.3 Cg_endo -75.05 -49.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 90' ' ' VAL . 99.1 t 65.65 -71.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.6 OUTLIER -45.42 -25.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.4 mtpp -92.15 -38.01 12.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 100' ' ' PHE . 55.9 mt -73.1 -18.44 61.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' VAL . 6.3 m -101.96 12.04 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -111.11 -13.31 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.42 59.36 10.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.7 OUTLIER -94.43 9.03 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 0.786 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 97' ' ' ASN . 75.5 t80 58.08 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -46.05 -59.18 3.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.296 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -19.43 8.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 94' ' ' PHE . 0.9 OUTLIER -90.18 -20.17 23.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 95' ' ' GLN . 2.6 t80 -97.24 -41.52 8.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -71.07 -4.53 25.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.793 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 14.7 t80 -102.05 -47.7 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 102' ' ' GLN . 10.0 p -61.31 -55.41 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -38.57 -45.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CH2' ' CG ' ' A' ' 82' ' ' LYS . 64.6 t90 -67.04 -61.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 107.952 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.793 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -38.4 -37.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.497 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 4.4 tmtt? -70.09 -62.7 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.98 -50.15 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -63.59 -45.19 91.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.542 ' CE2' HD13 ' A' ' 44' ' ' LEU . 1.2 m-85 -55.83 -33.69 64.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.07 24.77 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.46 120.59 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -170.88 96.51 0.11 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.33 38.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.38 113.56 25.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.5 p -138.1 -59.13 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.035 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.9 p 48.71 90.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 109.978 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.81 163.14 35.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.026 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.564 ' HA2' ' CE1' ' A' ' 11' ' ' HIS . . . -160.67 108.55 0.36 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.05 -53.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 109.975 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.24 -47.7 68.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.34 139.83 3.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -121.42 -39.08 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -116.4 140.35 49.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.476 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 0.3 OUTLIER 75.21 -61.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.564 ' CE1' ' HA2' ' A' ' 4' ' ' GLY . 33.6 t-80 -68.49 -8.44 41.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.605 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -69.96 -37.73 75.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.481 ' HE3' ' CB ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -81.97 -49.25 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 mt -42.98 -46.01 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.35 82.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' MET . 23.1 t90 -46.86 -69.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 108.009 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 18' ' ' ASN . 3.2 mp -54.12 -59.04 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' ILE . 94.5 m-20 -39.66 -47.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.86 61.61 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.462 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 47.1 m -161.64 -42.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -128.38 5.48 5.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.5 66.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 21' ' ' LEU . 1.1 mm? -106.47 -159.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -169.53 56.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.2 mt -81.95 145.62 30.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.2 p -113.4 -23.3 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -131.15 161.01 33.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 97' ' ' ASN . 4.8 mm -75.86 -27.56 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.28 -8.33 31.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -69.53 -14.26 62.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.58 28.31 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.4 p -77.6 -20.02 54.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 108.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 p -73.64 -61.5 1.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.08 55.99 1.09 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.577 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . . . -121.1 -46.81 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.16 -52.2 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -52.75 -49.43 65.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.1 m -51.21 -54.35 26.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.316 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -55.84 -57.58 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.462 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -45.05 -39.01 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 45' ' ' PHE . 12.9 mmm -65.34 -63.59 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.84 -36.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -42.42 69.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.574 ' CD1' ' CE2' ' A' ' 108' ' ' PHE . 59.8 mt -83.25 -69.41 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 41' ' ' MET . 50.7 m-85 -89.47 112.14 49.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 123.0 7.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.13 51.68 32.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 p -117.99 -33.17 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 0.0 109.988 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.463 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.0 OUTLIER -117.66 -172.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.62 67.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.508 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.3 mt -48.7 -24.17 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.67 41.24 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -161.04 -43.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.57 HG11 ' CE1' ' A' ' 56' ' ' PHE . 7.4 p -49.44 151.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 3.3 mmtt -101.84 101.5 11.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 35' ' ' ALA . 3.1 m-85 -90.29 39.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -178.03 37.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.459 ' HB1' ' CB ' ' A' ' 63' ' ' GLU . . . -74.51 135.33 42.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.87 -9.65 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.467 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 4.0 mt -108.24 157.11 18.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.8 mt-10 -70.53 -56.95 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.467 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 10.6 p80 -38.77 -31.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.537 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.459 ' CB ' ' HB1' ' A' ' 58' ' ' ALA . 2.0 mm-40 -70.79 -59.7 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 13.9 m-30 -36.34 -43.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.448 ' N ' HG13 ' A' ' 90' ' ' VAL . 1.2 mp -53.78 -67.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ASN . 11.9 mt-30 -42.7 -56.0 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 3.0 m-20 -39.76 -52.19 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.547 ' CE1' HD13 ' A' ' 89' ' ' LEU . 37.8 m-85 -68.1 -44.74 75.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -44.18 -48.2 9.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.19 -56.42 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.506 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.7 tm? -47.36 -55.23 9.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -43.0 -62.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.17 -33.17 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -53.57 -23.63 21.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.476 ' CD2' HG11 ' A' ' 80' ' ' VAL . 8.8 m-30 -87.59 -60.76 1.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -53.94 -25.8 22.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -68.51 -55.32 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 62.8 mmm -76.02 -70.21 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.53 60.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.476 HG11 ' CD2' ' A' ' 75' ' ' PHE . 24.5 t -125.86 103.32 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.01 71.48 6.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 44.1 tptt -126.96 135.34 50.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.1 mm -100.97 104.79 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.506 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 69.7 mt -74.93 143.63 78.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.498 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 18.3 Cg_endo -74.96 -60.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 62.7 t 65.2 -77.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.9 OUTLIER -42.34 -27.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.8 mtpp -88.35 -44.13 11.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.547 HD13 ' CE1' ' A' ' 68' ' ' PHE . 16.7 mt -65.24 -47.97 74.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 65' ' ' ILE . 23.1 m -61.43 -31.99 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 92' ' ' GLY . 0.8 OUTLIER -70.63 -8.72 53.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' LYS . . . 35.74 87.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -141.01 24.85 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' ASP . 34.3 t80 49.52 178.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 66.16 -68.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 44.0 m-20 -53.52 -20.61 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.436 ' HB3' ' CG2' ' A' ' 28' ' ' ILE . 1.1 m-80 -90.35 -44.15 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.511 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 2.6 t80 -68.87 -35.77 77.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -78.13 -7.11 56.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.806 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 1.6 t80 -107.12 -46.45 3.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.511 ' CG1' ' HA ' ' A' ' 98' ' ' PHE . 4.4 p -60.31 -41.04 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -52.58 -47.16 67.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.579 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 69.2 t90 -62.42 -59.05 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.023 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.806 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -42.85 -39.04 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.481 ' CB ' ' HE3' ' A' ' 13' ' ' MET . 0.0 OUTLIER -70.93 -61.82 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -52.14 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -56.77 -53.18 60.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.574 ' CE2' ' CD1' ' A' ' 44' ' ' LEU . 3.0 m-85 -53.32 -35.45 60.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.03 27.43 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 61.6 p -42.65 -51.2 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.31 97.69 0.19 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -44.74 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.557 1.819 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.5 p -155.49 100.48 2.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.066 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.2 p -90.12 128.47 36.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -134.33 152.82 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 m -75.38 122.79 24.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.69 93.56 0.12 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -172.43 134.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m -142.0 -54.28 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.22 88.17 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.112 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.71 -57.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.01 91.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -168.54 -63.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -15.05 18.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.593 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.02 -39.46 81.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.466 ' CE ' ' HD3' ' A' ' 105' ' ' LYS . 65.3 mmm -87.71 -52.28 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' CD1' ' C ' ' A' ' 26' ' ' THR . 5.9 mt -40.29 -45.6 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -63.13 -48.04 80.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.552 ' CE2' ' CZ ' ' A' ' 40' ' ' PHE . 33.5 t90 -44.4 -68.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.0 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.5 mp -51.63 -59.89 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' LEU . 92.7 m-20 -43.81 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -38.53 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.472 ' CB ' ' CZ ' ' A' ' 40' ' ' PHE . 20.8 m -38.12 -45.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 39' ' ' GLN . 47.1 mt -104.32 -133.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -144.54 40.38 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 23' ' ' LEU . 3.1 mm? -94.58 -168.72 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -170.3 44.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.8 mt -71.84 148.01 46.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.492 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 19.9 p -105.14 -15.81 14.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -132.42 163.91 27.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.49 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 2.4 mm -78.44 -33.7 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.35 -14.24 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -64.45 -12.21 41.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -93.02 32.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.554 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 17.1 p -91.42 37.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 p -126.75 -63.23 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.05 46.2 1.39 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.558 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . . . -119.13 -51.87 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.84 -59.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -46.66 -51.53 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.432 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.3 m -49.81 -50.27 45.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -55.01 -56.27 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.552 ' CZ ' ' CE2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -49.88 -39.11 38.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.474 ' CE ' HD11 ' A' ' 49' ' ' ILE . 22.6 mmm -64.22 -62.16 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -46.34 -34.74 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -35.84 74.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 108' ' ' PHE . 74.3 mt -85.79 -62.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' MET . 91.0 m-85 -106.91 109.27 63.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.87 29.52 20.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.4 p -100.98 -34.35 9.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.474 HD11 ' CE ' ' A' ' 41' ' ' MET . 0.1 OUTLIER -115.05 -166.6 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -128.43 60.5 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.454 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -45.94 -25.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.44 40.45 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -158.61 -45.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.544 HG13 ' CE1' ' A' ' 56' ' ' PHE . 5.6 p -46.11 153.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.434 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 2.9 mmpt? -110.88 93.6 4.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 35' ' ' ALA . 3.9 m-30 -74.55 -30.69 61.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -98.72 40.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.39 131.57 34.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -113.99 -30.67 6.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.36 158.66 22.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.583 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.0 mt-10 -70.68 -55.05 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.541 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 12.7 p80 -39.36 -39.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' CG ' HD21 ' A' ' 60' ' ' LEU . 1.5 mm-40 -57.82 -62.16 2.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.583 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 7.2 m-30 -38.3 -53.55 1.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.481 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 2.3 mp -39.05 -63.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' ASN . 12.1 mt-30 -51.24 -54.2 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.3 m-20 -40.19 -47.0 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.463 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 35.8 m-85 -71.17 -45.15 64.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -43.31 -47.05 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.1 mt -64.31 -57.4 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.53 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.7 tm? -45.99 -55.69 6.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -48.61 -41.69 31.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.7 -27.83 68.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -63.93 -28.82 73.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.476 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.4 m-30 -79.86 -48.7 13.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.76 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -18.59 56.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -81.12 -48.3 12.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mmt -76.34 -56.9 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.73 53.84 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.5 t -122.24 112.17 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 65.72 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 39.4 tptt -113.85 133.79 55.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.7 mm -87.49 110.26 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.53 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 23.2 mt -84.48 115.8 62.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -74.99 67.66 5.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 90' ' ' VAL . 46.9 t -64.94 -58.82 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.03 -28.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 91' ' ' LYS . 40.7 mtpt -95.2 -58.55 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 79.8 mt -45.88 -41.8 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 86' ' ' VAL . 29.5 m -71.12 -32.51 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 88' ' ' LYS . 11.9 mttt -72.04 -12.67 61.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.71 50.63 6.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -88.11 83.16 7.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.678 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -34.63 -55.28 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -55.15 -48.34 73.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.228 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -79.95 3.48 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -99.51 -41.65 7.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.43 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . 2.4 t80 -84.91 -36.62 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -72.36 -4.22 28.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 8.9 t80 -107.31 -40.42 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 98' ' ' PHE . 10.9 p -70.09 -43.41 79.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.2 pt20 -54.41 -23.21 14.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 47.7 t90 -87.14 -53.78 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 108.02 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -46.13 -38.01 7.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.525 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 2.5 ttpm? -66.94 -44.51 80.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -54.7 32.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.07 -19.51 44.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.565 ' CD2' HD13 ' A' ' 44' ' ' LEU . 3.9 m-85 -93.39 29.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.01 -51.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.7 t -87.8 95.69 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 159.53 88.92 0.07 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.62 42.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 m -158.87 126.36 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.039 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.97 -58.88 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.14 -58.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.989 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.66 168.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.9 -163.8 10.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -151.95 149.07 28.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.4 p -131.74 150.91 52.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.14 -171.11 16.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 63.56 115.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -45.16 156.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HD2' ' CE1' ' A' ' 94' ' ' PHE . 2.2 mtp85 71.51 135.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 74.87 1.34 3.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.61 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.36 -39.5 12.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -33.51 36.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 mt -50.77 -45.71 59.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.12 79.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.457 ' CH2' ' CE2' ' A' ' 40' ' ' PHE . 30.5 t90 -45.84 -61.63 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 108.027 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' ASN . 2.4 mp -61.89 -61.27 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' ILE . 62.6 m-20 -38.13 -44.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.94 60.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.6 m -159.18 -44.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -126.83 1.89 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.72 72.16 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -110.82 -158.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -172.16 59.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.9 mt -83.68 148.26 27.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -115.32 -18.69 10.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -131.8 167.25 19.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.505 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 6.2 mm -81.2 -34.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.49 -11.93 38.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -62.02 -13.94 30.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -93.81 28.3 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.416 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 27.7 p -92.57 40.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -126.2 -64.33 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.93 48.77 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.534 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . . . -123.62 -55.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.97 -60.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -45.32 -51.6 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.434 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.2 m -49.28 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 108.269 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.461 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -42.06 -46.02 4.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.457 ' CE2' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -58.26 -41.5 84.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.506 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 7.5 mmm -63.59 -63.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -29.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -75.29 -43.08 53.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.517 HD12 ' CE2' ' A' ' 108' ' ' PHE . 95.2 mt -77.49 -49.46 14.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 92.7 m-85 -123.57 109.28 30.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 124.28 8.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.6 33.41 22.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -108.67 -35.26 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.044 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.506 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -114.43 -167.59 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.57 65.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.6 -22.02 3.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.59 38.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -159.13 -44.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.475 HG13 ' CE1' ' A' ' 56' ' ' PHE . 6.3 p -47.04 150.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 34.5 mmtt -104.78 102.53 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 35' ' ' ALA . 3.2 m-85 -89.22 31.47 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -162.46 27.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB1' ' CB ' ' A' ' 63' ' ' GLU . . . -69.83 130.14 41.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.45 -30.95 7.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.567 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.89 165.35 18.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.549 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 3.3 tt0 -81.25 -40.75 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.63 ' CD2' ' HG2' ' A' ' 63' ' ' GLU . 17.7 p-80 -53.26 -30.65 39.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.595 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.63 ' HG2' ' CD2' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -68.75 -57.25 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 12.2 m-30 -37.53 -47.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.475 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 2.1 mp -43.9 -68.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ASN . 4.5 mt-30 -47.87 -56.49 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.6 m-20 -39.51 -47.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.482 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 20.3 m-85 -72.1 -47.38 51.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -42.56 -49.55 5.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 88.9 mt -58.69 -58.08 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.556 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.5 tm? -47.76 -53.19 16.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.403 ' NE2' HG13 ' A' ' 84' ' ' ILE . 1.8 tp60 -50.33 -43.74 54.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.09 -28.15 64.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.83 -33.18 86.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.9 m-30 -75.21 -49.34 19.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -17.08 58.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -83.51 -54.72 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.406 ' CE ' ' CD1' ' A' ' 45' ' ' PHE . 97.2 mmm -68.94 -60.05 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 146.54 57.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.5 t -128.71 117.23 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -97.03 61.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.54 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 42.5 tptt -112.07 126.76 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.4 mm -82.28 109.91 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.556 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 18.5 mt -81.81 119.72 75.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.577 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -74.97 63.08 5.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 40.2 t -61.57 -62.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' VAL . 1.6 t0 -39.84 -31.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 91' ' ' LYS . 27.1 mtpp -89.59 -59.84 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 81.1 mt -43.92 -41.15 5.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.477 HG13 ' CG1' ' A' ' 86' ' ' VAL . 24.5 m -71.23 -36.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 88' ' ' LYS . 42.6 mttt -70.48 -14.31 62.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.06 64.82 2.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 96' ' ' ASP . 5.6 mmpt? -103.85 82.77 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.469 ' CE1' ' HD2' ' A' ' 10' ' ' ARG . 55.9 t80 -37.73 -31.95 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' LYS . 66.3 tt0 -69.55 -50.96 39.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.227 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.495 ' OD2' ' CB ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -83.59 6.37 20.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.475 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -104.41 -41.72 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.49 ' CD2' HG13 ' A' ' 28' ' ' ILE . 2.5 t80 -80.9 -36.63 30.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -77.64 -10.74 59.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.335 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.808 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.8 t80 -95.91 -37.09 10.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.5 p -76.09 -28.93 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.46 -28.42 68.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.54 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 57.5 t90 -84.62 -56.56 3.54 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.808 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -42.19 -45.71 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.57 -60.32 3.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -53.36 10.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -57.49 -51.73 68.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.517 ' CE2' HD12 ' A' ' 44' ' ' LEU . 1.8 m-85 -47.71 -46.78 29.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -56.44 -51.04 69.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.4 t 60.23 116.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -133.99 -85.97 0.25 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.426 1.079 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 164.4 33.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.798 . . . . 0.0 111.026 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.0 t -149.11 117.67 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.947 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.86 -58.49 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.976 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.58 102.31 13.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 110.036 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.45 108.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.39 -146.12 4.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -48.33 -56.58 7.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.053 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -40.96 144.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.39 -125.33 4.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.77 -63.02 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -75.54 167.78 21.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 2.8 mtm105 70.84 -66.27 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -57.85 -16.8 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -61.53 -41.52 97.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' TRP . 55.2 mmm -78.32 -51.99 9.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 14' ' ' LEU . 6.2 mt -42.93 -42.99 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.39 90.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 28.6 t90 -45.61 -69.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 107.994 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.13 -58.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -40.23 -45.41 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.54 60.19 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.5 m -159.05 -43.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -130.45 7.34 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 65.91 75.09 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD23 ' C ' ' A' ' 21' ' ' LEU . 1.2 mm? -109.68 -159.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -173.41 65.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -95.48 141.25 29.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.9 t -101.16 -27.08 13.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -126.4 167.7 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.411 ' C ' ' N ' ' A' ' 30' ' ' GLN . 3.9 mm -76.54 -45.38 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.17 -24.24 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 28' ' ' ILE . 8.6 mm-40 -49.26 -22.35 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.59 32.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 25.5 p -92.73 21.22 5.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.326 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -110.0 -60.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.11 47.58 1.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.585 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . . . -117.54 -55.83 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.78 -59.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -46.07 -52.94 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.434 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.3 m -52.3 -66.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.35 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.489 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.21 -47.66 9.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -46.17 83.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.484 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 7.2 mmm -54.73 -60.74 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -44.45 -40.58 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -36.54 84.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.53 HD13 ' CE2' ' A' ' 108' ' ' PHE . 95.4 mt -82.33 -54.84 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -118.09 112.48 38.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.48 2.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.79 33.79 6.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -103.69 -35.8 8.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 0.733 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.484 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -115.4 -166.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.74 62.03 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -42.51 -28.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.14 44.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' ALA . 7.3 ttpp -161.36 -45.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.556 HG13 ' CE1' ' A' ' 56' ' ' PHE . 5.8 p -47.2 154.61 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -110.51 100.56 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.585 ' CD1' ' HB2' ' A' ' 35' ' ' ALA . 5.8 m-30 -82.29 -35.12 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -91.57 28.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.459 ' HB2' ' CB ' ' A' ' 63' ' ' GLU . . . -74.61 126.48 30.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.62 -32.56 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -79.0 167.55 20.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.525 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -82.83 -42.5 17.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.627 ' CD2' ' HG2' ' A' ' 63' ' ' GLU . 20.1 p-80 -51.6 -28.52 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.618 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.627 ' HG2' ' CD2' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -72.54 -55.49 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 11.8 m-30 -37.75 -47.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.423 ' N ' HG11 ' A' ' 90' ' ' VAL . 3.6 mp -48.49 -69.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -40.77 -56.06 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -40.5 -54.4 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.468 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 40.7 m-85 -64.89 -44.8 88.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.41 -44.84 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 98.9 mt -68.26 -57.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.499 HD12 ' CD1' ' A' ' 84' ' ' ILE . 1.4 tm? -42.58 -50.51 5.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.375 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -50.37 -43.79 54.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.33 -23.46 56.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.75 -25.01 76.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.624 ' CD2' ' CG1' ' A' ' 80' ' ' VAL . 6.3 m-30 -86.18 -46.32 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -33.77 70.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -69.03 -56.79 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.3 mmt -65.48 -70.24 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 148.5 48.04 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.624 ' CG1' ' CD2' ' A' ' 75' ' ' PHE . 24.9 t -101.81 113.94 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.26 68.2 10.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.562 ' CB ' ' CH2' ' A' ' 103' ' ' TRP . 23.5 tptt -134.43 120.95 20.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.8 mm -88.23 91.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.499 ' CD1' HD12 ' A' ' 71' ' ' LEU . 74.0 mt -55.22 142.25 58.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.01 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.468 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 62.7 t 64.29 -78.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.501 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -44.05 -27.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.8 mtpp -86.38 -41.85 14.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' VAL . 13.9 mt -67.75 -56.56 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.505 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 9.7 m -54.09 -23.3 9.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 12.4 mmmt -81.85 -23.76 36.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 65.99 77.87 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.571 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -109.52 -0.18 18.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.484 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 8.1 t80 60.95 -67.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.571 ' N ' ' O ' ' A' ' 93' ' ' LYS . 3.2 tp60 -52.71 -32.15 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.408 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -92.97 11.73 26.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -119.52 -40.73 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -74.71 -30.78 61.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -83.89 -13.51 53.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.736 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.2 t80 -97.36 -23.69 15.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 102' ' ' GLN . 12.0 p -83.27 -53.92 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.432 ' N ' ' CG1' ' A' ' 101' ' ' VAL . 3.0 pt20 -51.46 -21.9 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.562 ' CH2' ' CB ' ' A' ' 82' ' ' LYS . 8.5 t90 -88.6 -33.92 17.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.005 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.736 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -70.58 -34.22 71.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.465 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 7.3 tmtt? -73.61 -49.68 24.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -52.12 55.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -59.67 -50.82 72.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.53 ' CE2' HD13 ' A' ' 44' ' ' LEU . 1.8 m-85 -49.3 -49.25 44.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.73 -50.07 69.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 t 59.97 117.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -93.37 -120.46 3.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.85 15.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.469 1.773 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.94 153.05 44.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.4 p -176.65 -57.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.37 78.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -155.54 97.17 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.55 -73.21 0.48 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 t -177.92 155.82 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.58 141.53 3.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.16 -94.97 1.98 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.434 1.084 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER 57.9 101.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 42.57 -166.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 67.63 -69.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.261 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' ARG . 10.1 t-80 -57.48 -17.38 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.592 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -53.77 -46.6 71.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' TRP . 70.9 mmm -76.02 -54.36 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 26' ' ' THR . 6.1 mt -39.76 -45.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -64.54 -47.67 77.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' MET . 26.6 t90 -42.65 -66.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mp -57.86 -62.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -40.82 -78.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -39.99 -69.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' GLU . 74.8 m -36.39 -50.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 89.0 mt -100.09 -126.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -150.13 48.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 21' ' ' LEU . 2.4 mm? -105.85 -164.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -167.63 37.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.4 mt -51.26 147.84 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.433 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 69.1 p -115.1 -19.5 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -130.81 150.53 51.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.418 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 3.3 mm -68.36 -18.52 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.2 -7.47 55.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -68.7 -8.38 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.55 30.16 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.6 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 20.3 p -94.17 34.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -122.24 -64.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.02 44.32 1.52 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.145 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.575 ' HB3' ' CD1' ' A' ' 56' ' ' PHE . . . -120.32 -53.28 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.36 -53.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -53.55 -58.75 6.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.421 ' SG ' ' CG2' ' A' ' 49' ' ' ILE . 1.3 m -43.01 -54.69 4.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.321 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.415 ' NE2' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.07 -59.41 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -48.39 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.509 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 24.3 mmm -55.25 -61.63 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.07 -33.21 11.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -27.19 63.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 108' ' ' PHE . 89.5 mt -95.93 -59.54 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' MET . 44.3 m-85 -115.19 109.85 46.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 119.8 5.78 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.85 -22.26 35.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.4 p -52.9 -38.26 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.509 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -115.52 -164.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -134.45 64.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.434 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 1.6 mt -44.63 -27.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.24 42.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -161.44 -44.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.553 HG11 ' CE1' ' A' ' 56' ' ' PHE . 6.5 p -48.39 145.61 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 5.1 mmtt -103.01 94.52 5.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 35' ' ' ALA . 4.1 m-30 -74.56 -40.3 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -90.52 42.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.89 128.92 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -113.59 -31.8 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.56 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.76 156.57 24.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.459 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -68.35 -54.63 16.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 15.2 p80 -39.34 -39.24 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.477 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 1.4 mm-40 -60.34 -58.23 9.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 32' ' ' CYS . 11.9 m-30 -39.6 -45.87 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.429 ' N ' HG12 ' A' ' 90' ' ' VAL . 1.4 mp -51.43 -70.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -42.84 -52.97 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.4 m-20 -42.42 -51.55 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 30.4 m-85 -67.47 -43.64 80.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -43.99 -45.93 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.13 -56.55 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -47.39 -51.62 19.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -38.09 8.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.18 -35.5 79.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -52.29 -21.81 9.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.425 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 8.1 m-30 -90.14 -63.05 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -49.44 -27.66 4.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 67.2 mtt180 -74.63 -52.43 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.7 mmt -68.01 -67.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 153.71 44.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.555 HG23 ' CZ ' ' A' ' 107' ' ' PHE . 55.4 t -113.1 121.32 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -94.71 62.62 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.563 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 45.6 tptt -116.31 134.9 54.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.5 mm -100.25 102.28 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.52 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 59.8 mt -71.83 142.64 85.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.484 ' HD2' ' CE2' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -74.98 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 66.1 t 66.28 -79.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.513 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -35.18 -41.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -53.17 10.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 34.2 mt -55.29 -58.78 6.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 65' ' ' ILE . 19.4 m -50.8 -31.97 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -73.93 -32.9 63.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 99.35 44.2 2.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 97' ' ' ASN . 37.1 mttt -85.79 82.06 8.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -36.43 -56.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.574 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -53.24 -48.07 68.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.14 4.08 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.467 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -103.98 -32.35 9.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.235 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -88.28 -34.69 17.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.13 -5.81 50.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.789 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 10.2 t80 -101.31 -36.16 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 102' ' ' GLN . 14.6 p -71.87 -54.47 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.432 ' N ' HG12 ' A' ' 101' ' ' VAL . 0.5 OUTLIER -41.65 -44.24 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.277 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 49.4 t90 -66.26 -52.08 51.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.027 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.789 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -50.27 -57.84 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.404 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 3.9 tmtt? -42.92 -53.62 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -44.99 -65.19 0.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -41.02 -34.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.571 ' CD2' HD12 ' A' ' 44' ' ' LEU . 9.5 m-85 -87.91 37.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 106' ' ' LYS . 53.6 t0 -168.26 119.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.76 -50.23 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.87 150.9 18.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -42.27 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.792 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.3 t -76.31 130.61 38.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.7 p -113.64 140.35 48.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.92 116.77 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 0.729 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 m -102.01 -59.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.07 -111.97 0.44 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.24 144.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.04 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -63.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.018 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.09 -172.45 13.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -178.58 88.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -61.4 177.48 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER 70.32 -68.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.25 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -63.53 -13.48 41.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.602 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.36 -53.67 55.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' TRP . 79.4 mmm -66.16 -54.22 28.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 HD11 ' NH1' ' A' ' 10' ' ' ARG . 4.9 mt -41.92 -44.94 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.53 -48.73 76.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.515 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 33.9 t90 -46.48 -65.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' A' ' 23' ' ' LEU . 2.1 mp -57.47 -59.39 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' ILE . 55.2 m-20 -39.58 -49.03 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.15 60.61 2.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.5 m -162.06 -43.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -126.27 5.56 7.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 65.3 70.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 17' ' ' ILE . 1.1 mm? -105.46 -156.33 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -177.16 64.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.441 ' CD1' HD22 ' A' ' 31' ' ' LEU . 14.4 mt -98.71 150.2 22.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.457 ' O ' ' NH2' ' A' ' 10' ' ' ARG . 20.5 p -109.05 -14.62 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HA ' ' NH1' ' A' ' 10' ' ' ARG . 6.1 mtmm -140.11 172.78 12.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.8 mm -79.77 -44.04 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' HG3' ' CA ' ' A' ' 94' ' ' PHE . 2.8 mt-10 -49.25 -22.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -53.85 -19.33 4.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.441 HD22 ' CD1' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -91.88 33.79 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.52 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 23.0 p -92.27 27.54 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.431 ' O ' ' CE2' ' A' ' 68' ' ' PHE . 6.8 p -115.17 -60.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.48 46.88 1.61 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.573 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -117.33 -53.59 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.25 -61.73 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -43.91 -53.23 6.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 41' ' ' MET . 1.3 m -50.77 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -42.32 -41.33 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.434 ' N ' HD23 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -63.22 -39.97 96.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.493 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 31.1 mmm -64.93 -63.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -40.36 -42.3 1.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.76 -44.12 97.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.573 HD11 ' CD2' ' A' ' 108' ' ' PHE . 89.1 mt -75.74 -59.08 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 78' ' ' MET . 96.6 m-85 -112.25 107.97 55.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 124.15 8.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.43 34.93 30.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -110.27 -34.09 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.493 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.5 OUTLIER -109.26 -168.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 53' ' ' LYS . . . -124.75 55.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -44.03 -27.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -89.98 39.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' ALA . 9.0 ttpt -157.13 -45.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.584 HG11 ' CE1' ' A' ' 56' ' ' PHE . 7.5 p -47.75 150.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 7.8 mmtt -106.69 99.46 9.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.584 ' CE1' HG11 ' A' ' 54' ' ' VAL . 4.8 m-30 -80.47 -31.12 37.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -104.17 48.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.84 133.97 33.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.16 -4.61 11.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 62' ' ' HIS . 7.2 mt -116.59 160.92 19.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.6 mt-10 -73.13 -54.51 8.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.513 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 11.8 p80 -39.47 -36.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.57 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 64' ' ' TYR . 3.0 mm-40 -65.04 -61.76 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.52 ' CD2' ' O ' ' A' ' 32' ' ' CYS . 13.0 m-30 -35.69 -55.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.405 ' N ' HG13 ' A' ' 90' ' ' VAL . 1.3 mp -39.61 -65.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -42.91 -54.5 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -41.2 -54.19 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.469 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 73.4 m-85 -64.58 -44.06 91.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -44.4 -41.41 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.0 mt -71.28 -54.92 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.567 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -48.83 -50.57 33.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.0 -37.4 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.0 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.464 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -54.19 -30.4 47.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -81.95 -43.71 17.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -5.93 43.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -88.02 -44.07 11.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 45' ' ' PHE . 10.6 mmt -88.98 -69.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.35 66.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.659 ' CG1' ' CZ ' ' A' ' 107' ' ' PHE . 92.0 t -132.4 109.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.54 69.75 10.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 45.7 tptt -122.08 134.27 54.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.7 mm -100.24 106.13 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.567 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 29.0 mt -77.1 142.72 68.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.522 ' HD2' ' CE2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -74.97 -60.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 90' ' ' VAL . 61.9 t 66.66 -79.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 5.8 t0 -40.97 -29.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' A' ' 86' ' ' VAL . 8.1 mtpp -85.18 -46.19 11.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 14.1 mt -65.28 -56.35 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 86' ' ' VAL . 8.3 m -51.27 -34.04 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 16.2 mmmt -73.71 -26.21 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 96.35 44.01 3.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 97' ' ' ASN . 7.2 mmtm -82.93 69.88 9.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.03 -47.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.497 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 42.8 tt0 -57.11 -57.91 10.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -3.96 27.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -91.84 -43.44 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -73.63 -33.51 64.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -81.17 -8.72 59.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.775 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.6 t80 -98.3 -32.63 11.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.6 p -79.14 -35.46 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 2.2 pt20 -60.32 -29.36 68.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 35.6 t90 -82.0 -48.98 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.775 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -49.71 -60.3 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.515 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 32.1 tttp -40.82 -58.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.73 -59.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.659 ' CZ ' ' CG1' ' A' ' 80' ' ' VAL . 1.6 t80 -45.05 -32.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.573 ' CD2' HD11 ' A' ' 44' ' ' LEU . 3.6 m-85 -89.87 -88.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 108' ' ' PHE . 0.5 OUTLIER 60.9 121.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 p -82.62 126.8 32.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.33 139.96 4.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 54.13 3.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.4 t -134.65 128.9 33.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 t -156.51 132.44 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 110.944 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -93.98 -58.09 2.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.9 p -85.88 86.86 7.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.93 132.38 2.96 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.437 1.085 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.2 156.57 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.37 -62.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.67 -115.76 0.59 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 59.74 115.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 0.8 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -61.62 178.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.421 ' NH2' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 68.82 -66.53 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -65.3 -11.26 39.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.626 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.04 -41.69 92.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TRP . 47.1 mmm -83.48 -51.82 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' N ' HD21 ' A' ' 14' ' ' LEU . 6.8 mt -41.53 -43.86 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.42 -47.78 78.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.627 ' CZ2' ' CE2' ' A' ' 40' ' ' PHE . 30.7 t90 -45.28 -72.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 107.967 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mp -50.22 -56.87 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -42.37 -47.05 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.44 56.53 1.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.435 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 57.8 m -153.8 -44.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -127.71 4.33 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.12 69.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -103.85 -156.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -177.42 58.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.2 mt -87.88 148.35 24.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.3 p -107.17 -16.2 14.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HG2' ' NH2' ' A' ' 10' ' ' ARG . 4.0 mtmt -138.08 173.72 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.452 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 5.3 mm -81.44 -41.82 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.64 -20.37 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -52.73 -19.96 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' CD1' ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -91.34 34.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.3 p -92.8 22.26 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 108.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 p -107.25 -55.76 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.93 45.46 2.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.579 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . . . -122.13 -51.1 2.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.96 -54.2 2.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -51.13 -51.21 55.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' MET . 1.3 m -51.1 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.297 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -43.24 -43.34 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.627 ' CE2' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -62.3 -36.21 81.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.522 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . 20.1 mmm -70.29 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.89 -35.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -69.03 -45.09 71.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.56 HD13 ' CD2' ' A' ' 108' ' ' PHE . 80.0 mt -75.66 -53.07 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CD1' ' HE3' ' A' ' 78' ' ' MET . 40.8 m-85 -126.72 107.94 22.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.1 16.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.87 -22.75 29.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.8 p -56.68 -35.78 68.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.522 ' CG1' ' HB3' ' A' ' 41' ' ' MET . 0.3 OUTLIER -112.56 -161.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' LYS . . . -137.98 60.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.456 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -40.12 -29.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -88.92 43.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' ALA . 6.0 ttmt -159.07 -45.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.568 HG11 ' CE1' ' A' ' 56' ' ' PHE . 7.6 p -50.45 153.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -113.13 94.7 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 35' ' ' ALA . 6.1 m-30 -73.39 -38.44 65.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -89.51 39.29 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.61 127.96 34.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -115.19 -33.36 5.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.571 ' CD1' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.16 158.55 26.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.6 mt-10 -69.44 -56.23 8.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 11.2 p80 -38.42 -37.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 64' ' ' TYR . 2.1 mm-40 -63.01 -61.19 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.454 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 12.9 m-30 -35.94 -49.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.443 ' N ' HG13 ' A' ' 90' ' ' VAL . 1.3 mp -48.92 -65.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' ASN . 9.0 mt-30 -45.7 -54.65 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.4 m-20 -39.79 -52.01 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.479 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 34.7 m-85 -66.95 -48.11 69.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -40.81 -41.28 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 88.1 mt -71.24 -57.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.5 tm? -44.58 -50.68 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -46.01 -43.24 14.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.411 ' HA ' ' CG ' ' A' ' 76' ' ' LYS . . . -56.6 -34.63 67.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.443 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -52.57 -33.29 40.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -78.16 -50.4 12.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.411 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 2.2 ptpt -76.58 56.59 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -162.3 -43.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.561 ' HE3' ' CD1' ' A' ' 45' ' ' PHE . 70.2 mmm -90.04 -55.36 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 152.3 65.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.5 t -141.12 117.52 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.33 65.84 0.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.58 ' HB2' ' CH2' ' A' ' 103' ' ' TRP . 45.5 tptt -113.92 138.22 50.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mt -100.5 97.7 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 54.3 mt -68.48 137.33 90.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.235 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 87' ' ' ASP . 18.5 Cg_endo -74.97 -55.03 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 68' ' ' PHE . 60.1 t 63.6 -78.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' PRO . 66.1 t0 -39.06 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 86' ' ' VAL . 13.0 mtpp -85.31 -50.44 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 86' ' ' VAL . 19.9 mt -58.48 -48.11 81.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 65' ' ' ILE . 17.5 m -61.92 -25.38 37.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 2.3 mtpm? -83.94 -14.19 51.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.71 62.25 2.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -101.11 78.12 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 93' ' ' LYS . 29.1 t80 -33.62 -40.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.43 -56.5 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -81.27 1.82 30.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -97.42 -29.97 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -94.1 -30.83 14.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -83.55 -7.12 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.3 t80 -102.56 -25.32 13.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.8 p -84.61 -39.64 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.7 pt20 -59.54 -25.69 64.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CH2' ' HB2' ' A' ' 82' ' ' LYS . 23.9 t90 -84.7 -46.31 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -53.7 -48.44 69.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.527 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 12.4 tttm -58.88 -59.24 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -61.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -49.75 -57.32 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.56 ' CD2' HD13 ' A' ' 44' ' ' LEU . 2.1 m-85 -44.76 -49.36 10.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -54.7 -54.2 44.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 42.5 t -47.16 163.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.0 147.59 6.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -53.36 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.2 t -157.78 127.09 5.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 t -78.94 -61.28 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.065 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.047 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -55.79 -51.3 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' TRP . 82.0 mmm -70.54 -52.05 24.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.6 mt -41.02 -49.23 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -45.71 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' MET . 16.9 t90 -45.47 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.491 HG22 HD23 ' A' ' 23' ' ' LEU . 2.1 mp -53.04 -58.46 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' ILE . 45.2 m-20 -40.07 -44.85 1.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.83 55.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.47 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.2 m -151.66 -44.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.968 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -129.48 5.9 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.5 69.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.63 HD22 ' N ' ' A' ' 23' ' ' LEU . 1.1 mm? -106.65 -156.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -173.24 45.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 30' ' ' GLN . 56.8 mt -72.06 139.96 48.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.706 HG23 ' HG3' ' A' ' 27' ' ' LYS . 1.1 t -102.05 -28.23 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.706 ' HG3' HG23 ' A' ' 26' ' ' THR . 6.7 mttt -128.78 167.67 16.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.742 HD12 HG11 ' A' ' 101' ' ' VAL . 4.2 mm -76.26 -43.28 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.57 -25.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.624 ' HB3' HD22 ' A' ' 25' ' ' LEU . 10.4 mm-40 -51.11 -21.68 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -92.75 33.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.5 p -93.43 29.08 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.294 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 p -119.36 -61.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.77 49.19 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.65 -53.71 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.4 -58.75 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -47.57 -58.49 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.748 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.2 m -43.26 -64.78 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.62 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -46.52 -50.75 16.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.5 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -52.65 -45.42 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.573 ' HB3' HD11 ' A' ' 49' ' ' ILE . 8.4 mmm -58.51 -61.22 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.03 -41.26 3.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -39.92 95.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' MET . 89.4 mt -79.94 -62.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CD1' ' HE2' ' A' ' 78' ' ' MET . 83.1 m-85 -112.4 107.73 55.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.85 4.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.8 27.59 11.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.0 p -103.82 -33.57 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.748 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -117.51 -176.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -120.35 64.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.642 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -47.2 -25.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.51 41.88 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.629 ' HB3' HD13 ' A' ' 70' ' ' ILE . 14.6 ttpt -159.35 -44.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.557 HG11 HD23 ' A' ' 51' ' ' LEU . 6.9 p -47.55 149.15 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -99.6 102.1 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.642 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.5 m-30 -89.99 28.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -160.26 26.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -69.26 129.21 39.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -111.21 -29.05 8.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.717 HD12 ' NE2' ' A' ' 62' ' ' HIS . 4.7 mt -89.07 162.11 16.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.577 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -72.91 -57.4 4.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.717 ' NE2' HD12 ' A' ' 60' ' ' LEU . 9.4 p80 -37.72 -37.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.555 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.524 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -63.12 -57.73 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.712 ' HB3' HG12 ' A' ' 90' ' ' VAL . 14.2 m-30 -36.26 -56.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.467 HG13 HG11 ' A' ' 90' ' ' VAL . 1.3 mp -41.25 -62.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -44.65 -58.07 3.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -40.7 -51.35 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.713 ' HB3' HG22 ' A' ' 86' ' ' VAL . 58.7 m-85 -66.5 -44.17 83.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.75 -45.01 6.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.629 HD13 ' HB3' ' A' ' 53' ' ' LYS . 97.3 mt -67.05 -57.08 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.573 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.7 tm? -47.07 -49.58 21.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.54 -38.0 42.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -63.34 -25.07 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -67.19 -17.5 68.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 4.9 m-30 -94.81 -51.89 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -14.79 48.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -84.15 -53.68 5.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.483 ' HE2' ' CD1' ' A' ' 45' ' ' PHE . 48.5 mmm -73.18 -62.56 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.91 57.32 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.442 HG12 ' HB3' ' A' ' 82' ' ' LYS . 62.9 t -108.64 111.41 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -73.88 65.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 38.9 tptt -145.0 121.84 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.3 mm -101.31 86.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.708 HG23 ' HD2' ' A' ' 85' ' ' PRO . 42.4 mt -42.15 142.09 1.26 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.708 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.98 -50.46 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.713 HG22 ' HB3' ' A' ' 68' ' ' PHE . 95.7 t 66.61 -68.59 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -49.11 -23.63 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -94.84 -29.4 14.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 86' ' ' VAL . 28.4 mt -79.68 -19.82 48.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.712 HG12 ' HB3' ' A' ' 64' ' ' TYR . 24.1 m -100.69 13.5 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.42 -22.72 20.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 50.01 52.6 25.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.22 11.55 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' ASP . 22.9 t80 63.08 -179.18 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 94' ' ' PHE . 36.7 tt0 67.01 -64.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 94' ' ' PHE . 47.8 m-20 -57.51 -18.08 17.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.616 ' HB3' HG22 ' A' ' 28' ' ' ILE . 5.9 m-80 -95.17 -40.15 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.627 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.0 t80 -71.52 -43.86 65.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -70.11 -5.8 29.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.794 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 8.7 t80 -106.89 -47.1 3.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.742 HG11 HD12 ' A' ' 28' ' ' ILE . 7.5 p -60.52 -44.75 97.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 1.4 pp0? -50.15 -46.02 53.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.574 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 76.8 t90 -63.84 -64.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.794 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -37.29 -48.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -58.86 -60.64 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.87 -58.36 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -55.96 -58.44 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.5 m170 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -59.78 -54.89 40.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.525 ' HE2' HG22 ' A' ' 101' ' ' VAL . 75.3 mmm -65.63 -54.36 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD21 HG12 ' A' ' 28' ' ' ILE . 4.4 mt -39.99 -46.51 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -63.74 -48.22 77.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 30.3 t90 -43.08 -68.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 108.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.1 -60.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' LEU . 71.7 m-20 -42.6 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -38.89 -67.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLU . 61.6 m -39.28 -38.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.53 HD22 ' NE2' ' A' ' 39' ' ' GLN . 43.0 mt -114.11 -131.0 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -145.68 41.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -93.53 -168.61 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.403 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 57.9 t-20 -171.21 43.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.808 HD22 ' HB3' ' A' ' 30' ' ' GLN . 34.6 mt -66.57 153.02 44.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.1 p -117.41 -14.12 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -132.23 142.62 49.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.731 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.7 mm -65.51 -14.56 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -79.95 -8.1 59.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.808 ' HB3' HD22 ' A' ' 25' ' ' LEU . 4.6 mm-40 -70.19 -13.22 62.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -92.29 29.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 31.4 p -91.92 16.06 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 p -104.36 -57.04 2.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.64 48.53 1.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.418 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -117.14 -54.13 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.47 -65.03 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -40.56 -56.41 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.71 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.1 m -45.65 -59.35 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.53 ' NE2' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -47.63 -62.29 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.18 -53.61 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.56 ' HB3' HD11 ' A' ' 49' ' ' ILE . 18.2 mmm -48.27 -64.33 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.87 -41.81 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.358 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -62.9 -42.23 99.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' MET . 86.8 mt -77.5 -58.42 3.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -110.67 110.56 57.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 111.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.21 42.34 5.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.1 p -113.88 -33.78 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.71 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -114.47 -174.21 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.475 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -122.14 60.67 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.656 HD23 HG11 ' A' ' 54' ' ' VAL . 1.2 mt -47.01 -24.71 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.71 39.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.495 ' HB3' HD13 ' A' ' 70' ' ' ILE . 6.4 ttpp -157.98 -45.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.656 HG11 HD23 ' A' ' 51' ' ' LEU . 4.3 p -46.02 156.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -105.96 97.92 7.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.639 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.6 m-85 -88.48 21.68 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -155.8 34.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.17 135.37 38.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' C ' HD23 ' A' ' 60' ' ' LEU . 1.4 mtpt -117.07 -7.94 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.69 HD12 ' NE2' ' A' ' 62' ' ' HIS . 5.9 mt -110.49 161.88 15.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -77.01 -55.86 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.69 ' NE2' HD12 ' A' ' 60' ' ' LEU . 10.7 p80 -38.06 -32.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.452 ' OE2' ' CE1' ' A' ' 62' ' ' HIS . 2.5 mm-40 -70.46 -58.58 3.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 13.1 m-30 -34.21 -48.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.599 HG13 HG11 ' A' ' 90' ' ' VAL . 1.9 mp -45.73 -66.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 67' ' ' ASN . 8.5 mt-30 -43.09 -56.81 3.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' GLN . 1.3 m-20 -39.01 -55.11 1.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.623 ' CD2' HG13 ' A' ' 86' ' ' VAL . 36.1 m-85 -63.44 -46.45 86.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -41.47 -46.54 3.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 96.1 mt -64.61 -57.22 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.557 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -49.16 -52.41 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.539 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -48.74 -33.66 10.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -70.68 -32.47 69.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -57.4 -25.26 54.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.511 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.6 m-30 -85.13 -53.83 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -20.1 7.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -76.98 -59.76 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.45 -54.03 34.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.78 55.3 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 82' ' ' LYS . 75.7 t -121.7 103.03 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -84.1 67.01 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 36.4 tptt -120.37 122.87 41.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 83' ' ' ILE . 4.5 mp -79.31 114.3 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.557 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 14.6 mt -84.73 121.85 74.65 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -74.96 66.35 5.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.927 ' O ' HG22 ' A' ' 90' ' ' VAL . 34.6 t -63.94 -64.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' VAL . 27.4 t70 -38.58 -31.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 91' ' ' LYS . 33.3 mtpt -89.78 -59.71 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.477 HD13 ' CE1' ' A' ' 68' ' ' PHE . 76.2 mt -44.96 -45.98 10.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 86' ' ' VAL . 32.7 m -62.25 -35.43 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 88' ' ' LYS . 14.5 mtmt -75.93 -16.99 59.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 63.52 75.79 0.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 95' ' ' GLN . 9.7 mmmt -92.15 12.64 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ASN . 45.3 t80 56.15 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -44.54 -63.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -23.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.489 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -84.54 -38.73 19.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.539 ' HA ' HG12 ' A' ' 101' ' ' VAL . 3.1 t80 -77.58 -32.71 53.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -80.92 -11.41 59.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.809 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.9 t80 -99.48 -32.9 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' A' ' 98' ' ' PHE . 11.3 p -75.06 -41.23 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 2.3 pt20 -58.47 -26.07 62.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.568 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 38.6 t90 -84.11 -48.21 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.809 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -54.33 -27.73 37.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.52 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 3.3 tmtt? -82.87 -55.27 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -48.04 -54.64 12.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -56.98 -50.6 72.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 104' ' ' PHE . 1.8 m-85 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.2 m80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -57.18 -40.09 76.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.723 ' HE2' HG22 ' A' ' 101' ' ' VAL . 41.4 mmm -81.47 -53.27 6.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.2 mt -42.0 -42.11 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.29 -47.11 83.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 29.1 t90 -46.35 -63.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.52 HG22 HD23 ' A' ' 23' ' ' LEU . 2.3 mp -60.06 -60.8 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' ILE . 39.4 m-20 -38.4 -46.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.41 58.64 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.45 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 59.8 m -156.45 -44.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.733 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -126.35 1.93 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 74.58 60.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -99.19 -156.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -176.13 55.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.714 HD22 ' HB3' ' A' ' 30' ' ' GLN . 20.7 mt -75.57 146.89 40.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.6 p -113.73 -20.9 10.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -137.79 149.51 46.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.797 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.8 mm -63.09 -16.35 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.92 -3.93 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.714 ' HB3' HD22 ' A' ' 25' ' ' LEU . 8.6 mm-40 -73.18 -8.09 54.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -100.57 24.34 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.4 p -80.05 -14.34 58.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 108.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -79.17 -53.9 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.75 44.66 4.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.563 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -112.4 -49.26 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.35 -49.93 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -55.27 -50.86 68.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.767 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.2 m -49.87 -62.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.348 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.571 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -48.56 -52.63 21.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.474 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -51.92 -44.11 63.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.609 ' HB3' HD11 ' A' ' 49' ' ' ILE . 6.6 mmm -58.77 -62.17 2.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.11 -42.53 4.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.01 -39.33 91.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' MET . 98.3 mt -79.83 -58.79 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.441 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 78.1 m-85 -116.26 108.0 46.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 111.08 3.24 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.76 24.96 8.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.409 ' C ' HD13 ' A' ' 49' ' ' ILE . 82.0 p -100.54 -34.8 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.048 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.767 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -117.11 -178.14 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -117.3 60.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.643 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -40.66 -29.46 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -89.19 44.85 1.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.534 ' HB3' HD13 ' A' ' 70' ' ' ILE . 5.2 ttmt -161.03 -43.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.586 HG11 ' CE1' ' A' ' 56' ' ' PHE . 11.0 p -49.59 150.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 13.7 mmtt -108.5 90.23 3.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.643 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 6.5 m-30 -70.05 -34.31 73.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -95.43 43.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -89.49 129.15 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' C ' HD13 ' A' ' 60' ' ' LEU . 2.9 ttpt -113.55 -32.07 6.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.835 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.83 157.56 25.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -69.52 -53.69 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 17.1 p80 -39.66 -37.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.609 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.625 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.0 OUTLIER -63.79 -57.65 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.515 ' HB3' HG12 ' A' ' 90' ' ' VAL . 9.1 m-30 -39.6 -42.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.485 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 1.9 mp -52.96 -68.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' ASN . 5.2 mt-30 -45.17 -53.39 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.352 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.9 m-20 -39.21 -50.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.548 ' CD2' HG13 ' A' ' 86' ' ' VAL . 22.7 m-85 -69.55 -49.12 57.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -40.59 -43.41 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.534 HD13 ' HB3' ' A' ' 53' ' ' LYS . 94.0 mt -67.64 -56.21 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.542 HD11 ' HZ ' ' A' ' 104' ' ' PHE . 1.6 tm? -48.4 -50.74 29.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -48.55 -37.36 17.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -62.54 -30.68 71.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -62.5 -22.59 63.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.482 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.2 m-30 -89.5 -51.9 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -14.86 53.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -83.75 -51.08 7.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.441 ' CE ' ' CD1' ' A' ' 45' ' ' PHE . 74.4 mmm -76.47 -52.94 8.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.67 62.35 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.0 t -130.75 97.43 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.75 66.49 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.572 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 41.7 tptt -114.43 134.91 54.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.5 mm -90.24 112.03 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 29.7 mt -86.89 118.37 69.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -74.97 65.19 6.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.758 ' O ' HG22 ' A' ' 90' ' ' VAL . 45.6 t -60.91 -67.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 86' ' ' VAL . 19.1 t0 -35.75 -36.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.3 mtpp -84.44 -60.93 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.546 HD13 ' CE1' ' A' ' 68' ' ' PHE . 77.1 mt -43.54 -50.58 7.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 86' ' ' VAL . 30.0 m -58.77 -36.9 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' LYS . 3.8 mmtt -69.45 -21.66 63.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.79 79.23 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -97.85 -3.0 39.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 t80 67.88 -62.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' LYS . 6.0 tt0 -61.69 -48.93 78.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.85 -11.83 49.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.478 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -93.61 -36.17 12.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.489 ' HB2' HG21 ' A' ' 28' ' ' ILE . 2.1 t80 -77.15 -43.09 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -72.1 -13.6 61.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.803 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 19.0 t80 -92.88 -46.73 7.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.723 HG22 ' HE2' ' A' ' 13' ' ' MET . 11.5 p -63.56 -53.43 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.521 ' N ' HG13 ' A' ' 101' ' ' VAL . 7.2 pt20 -44.16 -26.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 46.1 t90 -83.22 -50.65 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 108.0 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.803 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -50.71 -43.21 57.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.535 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 5.5 tttm -62.92 -57.17 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -46.29 -58.49 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -52.27 -55.57 20.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 43.7 t60 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.93 -37.76 85.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.518 ' HE2' HG22 ' A' ' 101' ' ' VAL . 45.7 mmm -87.11 -45.61 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.649 HD21 HG12 ' A' ' 28' ' ' ILE . 5.1 mt -51.11 -43.89 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.57 98.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.457 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 20.6 t90 -47.53 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.56 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.6 mp -50.75 -56.22 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -42.06 -46.75 4.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.06 56.02 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -153.23 -44.15 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -130.14 8.28 5.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 66.68 68.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.619 HD22 ' N ' ' A' ' 23' ' ' LEU . 1.2 mm? -102.99 -157.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -177.28 65.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.726 HD22 ' HB3' ' A' ' 30' ' ' GLN . 24.9 mt -96.01 148.94 22.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -115.18 -16.14 11.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -134.96 143.88 47.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.786 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.8 mm -64.33 -17.05 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.61 1.52 25.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.726 ' HB3' HD22 ' A' ' 25' ' ' LEU . 9.8 mm-40 -80.47 -4.02 52.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -101.46 32.26 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.56 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 13.8 p -93.67 32.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -117.4 -64.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.85 43.41 1.54 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.0 -52.36 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.736 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.09 -58.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.4 ' CE1' ' HE1' ' A' ' 100' ' ' PHE . 45.1 m-85 -48.82 -60.52 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.659 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.5 m -42.04 -65.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.617 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -43.59 -44.55 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -46.12 88.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.589 ' HB3' HD11 ' A' ' 49' ' ' ILE . 18.1 mmm -58.27 -62.71 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' MET . 2.3 t70 -39.53 -39.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtp -68.38 -46.76 69.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' MET . 52.8 mt -77.18 -65.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' MET . 74.7 m-85 -100.58 108.01 51.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 134.02 17.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.87 39.92 96.89 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.2 p -112.66 -30.88 6.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 0.776 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.659 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -113.91 -166.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.495 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -129.58 56.22 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.679 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -40.69 -29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -89.11 42.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.568 ' HB3' HD13 ' A' ' 70' ' ' ILE . 7.0 ttmt -158.27 -46.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.495 ' CG1' ' CE1' ' A' ' 56' ' ' PHE . 5.6 p -46.39 158.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.47 104.39 13.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 4.5 m-30 -91.64 27.51 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -156.93 24.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.704 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -64.55 123.92 20.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.601 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -111.97 -8.2 14.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.743 HD12 ' NE2' ' A' ' 62' ' ' HIS . 8.0 mt -113.55 162.95 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.56 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.5 tt0 -70.28 -56.11 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.743 ' NE2' HD12 ' A' ' 60' ' ' LEU . 10.4 p80 -39.67 -37.0 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.704 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.8 mm-40 -63.14 -59.76 4.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.624 ' HB3' HG12 ' A' ' 90' ' ' VAL . 12.9 m-30 -37.74 -48.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.623 HG13 HG11 ' A' ' 90' ' ' VAL . 1.2 mp -46.8 -66.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -44.64 -54.5 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.91 -49.1 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.669 ' HB3' HG22 ' A' ' 86' ' ' VAL . 28.2 m-85 -70.1 -45.36 67.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.67 -44.86 6.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.568 HD13 ' HB3' ' A' ' 53' ' ' LYS . 98.0 mt -65.49 -55.13 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 0.9 OUTLIER -45.68 -58.47 3.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.506 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -38.32 -56.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.24 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -38.63 -45.5 1.99 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.2 m-30 -65.18 -55.54 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.52 58.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -159.67 -44.33 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.9 mmm -92.67 -61.87 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 163.21 66.07 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.681 HG13 ' CZ ' ' A' ' 107' ' ' PHE . 6.4 t -140.99 116.27 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.8 68.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 44.5 tptt -122.15 134.54 54.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.1 mm -97.1 103.79 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.0 HG22 HG23 ' A' ' 86' ' ' VAL . 37.9 mt -69.81 143.03 91.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.743 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.99 -58.18 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 1.0 HG23 HG22 ' A' ' 84' ' ' ILE . 67.7 t 64.52 -76.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' PRO . 57.1 t0 -45.69 -25.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 86' ' ' VAL . 4.8 mtpp -89.72 -38.27 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.51 HD13 ' CE1' ' A' ' 68' ' ' PHE . 15.0 mt -69.13 -52.69 25.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.624 HG12 ' HB3' ' A' ' 64' ' ' TYR . 19.4 m -59.13 -16.41 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -91.31 -10.41 41.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 46.75 75.74 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.2 OUTLIER -102.92 7.55 39.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.472 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 61.8 t80 63.61 -65.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 93' ' ' LYS . 6.7 tm0? -51.03 -61.33 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.57 -10.8 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.464 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -88.7 -30.94 18.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.504 ' HA ' HG12 ' A' ' 101' ' ' VAL . 4.0 t80 -95.91 -36.06 11.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -72.38 -4.3 29.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.799 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 14.8 t80 -102.74 -43.19 5.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 102' ' ' GLN . 14.2 p -66.02 -54.96 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.558 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -40.38 -47.45 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.247 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 61.4 t90 -62.09 -55.53 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 108.042 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.799 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -45.6 -56.61 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.471 ' HD3' ' CE ' ' A' ' 13' ' ' MET . 17.4 tttm -50.93 -61.8 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.33 -56.63 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.681 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 64.2 t80 -56.8 -55.4 34.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -94.22 -32.86 13.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.426 ' CE ' ' HA ' ' A' ' 102' ' ' GLN . 33.9 mmm -90.5 -35.45 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.39 -43.58 44.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.32 82.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.544 ' CZ2' ' CZ ' ' A' ' 40' ' ' PHE . 38.4 t90 -45.44 -59.23 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.483 HG22 HD23 ' A' ' 23' ' ' LEU . 2.3 mp -61.91 -61.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' ILE . 56.7 m-20 -39.19 -42.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.33 61.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.4 m -161.71 -43.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.768 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -125.55 2.42 7.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 71.26 60.99 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.768 HD21 ' HB2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -98.62 -157.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -176.02 56.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 30' ' ' GLN . 40.8 mt -80.43 148.41 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -111.57 -17.32 13.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -140.65 162.38 35.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.798 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.5 mm -74.37 -26.39 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -13.47 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.643 ' HB3' HD22 ' A' ' 25' ' ' LEU . 6.0 mm-40 -62.94 -14.17 43.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.798 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -94.09 30.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.482 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 26.4 p -94.12 31.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.273 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 p -123.22 -61.0 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.77 52.66 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.042 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 56' ' ' PHE . . . -123.93 -53.85 1.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.88 -56.1 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -50.48 -59.08 4.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.751 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -43.09 -61.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.624 ' HB3' HD22 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -47.92 -47.51 32.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.544 ' CZ ' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -58.29 -40.21 81.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.571 ' HB3' HD11 ' A' ' 49' ' ' ILE . 15.9 mmm -63.44 -56.63 14.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -48.06 -42.22 28.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -24.07 66.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' MET . 55.2 mt -96.75 -57.17 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.417 ' CD2' ' CE ' ' A' ' 78' ' ' MET . 57.9 m-85 -121.94 109.2 34.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.32 3.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.16 -20.88 20.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.9 p -56.17 -35.24 66.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.751 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -118.89 -167.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.56 68.31 1.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.706 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -49.63 -23.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.509 ' HA ' ' CE ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -91.8 42.43 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -160.08 -44.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.548 HG11 HD23 ' A' ' 51' ' ' LEU . 7.4 p -48.79 154.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -104.62 101.81 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.706 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.4 m-30 -90.52 27.66 1.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -157.15 24.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.583 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -67.02 124.98 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.424 ' C ' HD23 ' A' ' 60' ' ' LEU . 3.1 mmmm -109.49 -16.2 14.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.775 HD12 ' NE2' ' A' ' 62' ' ' HIS . 5.3 mt -100.87 162.23 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -74.67 -55.13 6.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.775 ' NE2' HD12 ' A' ' 60' ' ' LEU . 11.4 p80 -39.31 -34.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.583 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.8 mm-40 -68.21 -55.32 12.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.764 ' HB3' HG12 ' A' ' 90' ' ' VAL . 13.4 m-30 -38.02 -43.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.543 HG13 HG11 ' A' ' 90' ' ' VAL . 2.0 mp -54.3 -69.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -40.19 -54.93 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -43.1 -53.13 5.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' HB3' HG22 ' A' ' 86' ' ' VAL . 26.0 m-85 -65.57 -42.7 91.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -45.25 -46.08 12.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.482 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 97.2 mt -64.63 -56.72 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.581 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -49.25 -48.77 45.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.4 -33.75 4.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -70.02 -37.86 75.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -52.63 -20.19 7.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.486 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 4.9 m-30 -89.5 -64.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.98 -22.42 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -77.56 -37.73 50.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.417 ' CE ' ' CD2' ' A' ' 45' ' ' PHE . 3.9 mmt -88.33 -51.55 5.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.44 56.77 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.519 HG12 ' HB3' ' A' ' 82' ' ' LYS . 79.5 t -112.63 118.21 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -82.25 64.35 6.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 22.6 tptt -138.03 120.62 16.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.2 mm -94.52 85.82 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.871 HG22 HG23 ' A' ' 86' ' ' VAL . 42.1 mt -43.25 142.82 1.52 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.727 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.96 -56.55 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.871 HG23 HG22 ' A' ' 84' ' ' ILE . 65.5 t 64.36 -77.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -44.39 -26.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 86' ' ' VAL . 6.9 mtpp -89.3 -39.64 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' VAL . 15.3 mt -68.73 -51.99 35.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.764 HG12 ' HB3' ' A' ' 64' ' ' TYR . 26.5 m -58.66 -16.71 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' GLY . 21.8 mtmt -92.1 22.93 4.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' LYS . . . 37.77 52.56 1.96 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 97' ' ' ASN . 6.8 mtmt -97.78 82.23 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 98' ' ' PHE . 61.9 t80 -37.54 -46.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.0 84.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -86.05 4.08 39.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.531 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -105.33 -31.11 9.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.611 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.6 t80 -90.29 -36.45 14.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.01 -7.48 53.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 4.3 t80 -102.9 -37.42 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.611 HG12 ' HA ' ' A' ' 98' ' ' PHE . 9.3 p -74.41 -39.59 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.426 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 5.8 pt20 -55.38 -26.73 43.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 33.8 t90 -84.46 -50.91 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.802 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -45.35 -55.61 5.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -52.7 -55.28 23.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.1 -63.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -50.47 -54.25 23.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.2 m170 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -54.87 -43.87 73.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.598 ' HB2' HD11 ' A' ' 28' ' ' ILE . 65.5 mmm -78.08 -52.01 9.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.893 HD21 HG12 ' A' ' 28' ' ' ILE . 4.1 mt -47.23 -41.76 19.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -66.0 -42.69 89.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.486 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 20.2 t90 -44.93 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.418 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.3 mp -50.61 -58.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' ILE . 78.9 m-20 -39.73 -44.89 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -97.3 61.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -159.19 -46.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.788 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -124.47 -0.21 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER 75.91 68.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.343 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -108.28 -156.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -178.14 53.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 30' ' ' GLN . 20.6 mt -82.52 147.2 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.0 p -112.03 -20.44 11.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -128.86 133.56 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.893 HG12 HD21 ' A' ' 14' ' ' LEU . 4.4 mm -54.07 -28.77 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -13.26 29.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.44 ' HB3' HD22 ' A' ' 25' ' ' LEU . 18.2 mm-40 -61.49 -15.93 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -94.17 23.97 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.0 p -70.89 -23.69 62.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 108.325 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -72.43 -52.86 14.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.61 53.07 2.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HB1' ' CE1' ' A' ' 56' ' ' PHE . . . -119.6 -48.06 2.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.73 -48.56 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -55.8 -52.02 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.74 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -49.82 -61.45 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 108.341 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.593 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -48.08 -54.35 13.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.471 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -48.88 -46.9 43.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.577 ' HB3' HD11 ' A' ' 49' ' ' ILE . 12.3 mmm -57.33 -63.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.23 -31.29 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.13 -34.59 66.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' MET . 92.6 mt -88.29 -57.73 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' MET . 40.8 m-85 -114.6 105.36 53.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.61 5.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.52 25.51 13.58 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.485 1.115 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.7 p -104.81 -32.71 8.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 0.791 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.74 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -117.6 -167.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -131.31 64.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.593 HD21 ' HZ ' ' A' ' 56' ' ' PHE . 1.7 mt -46.59 -25.25 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.61 42.57 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.689 ' HB3' HD13 ' A' ' 70' ' ' ILE . 3.2 ttpt -159.47 -44.95 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.573 HG11 HD23 ' A' ' 51' ' ' LEU . 7.7 p -47.94 151.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -103.28 104.61 14.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.593 ' HZ ' HD21 ' A' ' 51' ' ' LEU . 4.5 m-30 -92.02 16.69 10.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -145.14 23.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -67.78 126.35 29.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -18.47 12.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.776 HD12 ' NE2' ' A' ' 62' ' ' HIS . 6.7 mt -99.18 162.88 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.8 tt0 -74.29 -55.15 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.776 ' NE2' HD12 ' A' ' 60' ' ' LEU . 11.3 p80 -39.51 -33.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.579 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -69.4 -56.1 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.646 ' HB3' HG12 ' A' ' 90' ' ' VAL . 12.7 m-30 -37.17 -49.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.541 HG13 HG11 ' A' ' 90' ' ' VAL . 1.6 mp -47.61 -61.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -45.3 -55.7 5.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -41.37 -51.29 3.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.584 ' HB3' HG22 ' A' ' 86' ' ' VAL . 44.0 m-85 -67.17 -46.02 75.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -42.25 -46.94 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.689 HD13 ' HB3' ' A' ' 53' ' ' LYS . 94.7 mt -65.51 -57.06 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.8 tm? -46.6 -54.83 8.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.54 -58.87 2.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.78 -33.83 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -54.23 -34.52 53.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.5 m-30 -77.27 -46.68 22.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -19.52 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -79.46 -46.71 16.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.453 ' HE2' ' CD2' ' A' ' 45' ' ' PHE . 60.5 mmm -81.64 -66.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 146.53 56.84 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.411 HG12 ' HB3' ' A' ' 82' ' ' LYS . 96.3 t -109.7 111.24 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.87 69.2 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 48.7 tptt -142.09 122.16 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.5 mt -99.48 87.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.775 HG22 HG23 ' A' ' 86' ' ' VAL . 22.2 mt -48.38 139.75 10.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.02 -51.76 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.775 HG23 HG22 ' A' ' 84' ' ' ILE . 95.2 t 65.94 -71.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 1.8 t0 -48.27 -23.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 86' ' ' VAL . 22.4 mtpt -90.97 -35.78 14.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 68' ' ' PHE . 24.3 mt -74.28 -54.76 7.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.646 HG12 ' HB3' ' A' ' 64' ' ' TYR . 22.7 m -56.34 -18.57 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 12.7 mmmt -77.43 -14.84 59.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.28 35.58 37.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.39 93.57 8.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -45.62 -44.95 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.89 -60.78 3.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -57.35 -18.04 15.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.446 ' HB3' HG22 ' A' ' 28' ' ' ILE . 3.9 m-80 -87.47 -49.55 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.621 ' HA ' HG12 ' A' ' 101' ' ' VAL . 38.1 t80 -65.26 -33.28 75.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -80.25 -8.81 59.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.803 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.2 t80 -104.69 -27.28 11.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.791 HG11 HD12 ' A' ' 28' ' ' ILE . 14.2 p -80.62 -47.09 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.425 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.3 OUTLIER -52.39 -21.37 3.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 64.9 t90 -90.45 -58.21 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.03 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.803 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -43.1 -33.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.486 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 4.5 tmtt? -75.57 -50.87 14.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.08 -58.31 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -54.44 -47.89 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 104' ' ' PHE . 2.1 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -56.08 -52.18 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.631 ' HE2' HG22 ' A' ' 101' ' ' VAL . 74.7 mmm -73.53 -53.23 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.606 HD21 HG12 ' A' ' 28' ' ' ILE . 5.0 mt -39.62 -46.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.214 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -65.08 -46.85 79.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.545 ' CH2' ' HA ' ' A' ' 105' ' ' LYS . 29.9 t90 -44.15 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mp -50.52 -59.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 21' ' ' LEU . 86.4 m-20 -43.41 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -40.7 -68.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 40' ' ' PHE . 66.9 m -38.28 -38.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.464 HD22 ' CD ' ' A' ' 39' ' ' GLN . 54.4 mt -114.52 -130.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.479 ' H ' HD22 ' A' ' 23' ' ' LEU . 3.9 mm-40 -145.68 43.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.479 HD22 ' H ' ' A' ' 22' ' ' GLN . 2.9 mm? -99.84 -167.77 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.405 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 26.5 t30 -166.8 39.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.476 HD22 ' HB3' ' A' ' 30' ' ' GLN . 20.9 mt -57.44 143.6 39.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.438 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.5 t -102.75 -26.1 13.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -127.86 163.87 23.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.734 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.4 mm -74.68 -32.05 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -15.29 22.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.476 ' HB3' HD22 ' A' ' 25' ' ' LEU . 12.1 mm-40 -61.92 -13.99 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -91.9 29.2 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.3 p -92.86 19.28 7.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 108.279 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 p -110.21 -59.0 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.01 47.77 2.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.562 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -118.48 -54.3 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.82 -58.42 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -45.89 -50.34 14.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.703 ' SG ' HG21 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -50.02 -54.4 20.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 108.276 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.464 ' CD ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -51.66 -58.61 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -44.01 -48.76 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.556 ' HB3' HD11 ' A' ' 49' ' ' ILE . 24.1 mmm -55.95 -60.09 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.83 -43.42 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.8 ttp -61.33 -37.26 82.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' A' ' 108' ' ' PHE . 52.6 mt -84.17 -67.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' MET . 35.2 m-85 -111.15 105.93 57.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 121.67 6.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.91 -21.53 37.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.3 p -58.22 -31.79 67.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.703 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -117.92 -171.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -128.63 61.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.646 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -43.33 -27.32 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.32 42.4 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HB3' HD13 ' A' ' 70' ' ' ILE . 15.2 ttpt -160.88 -44.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.523 HG11 HD23 ' A' ' 51' ' ' LEU . 6.7 p -47.31 146.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 4.2 mmtp -103.89 93.17 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.646 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 4.0 m-30 -73.16 -34.93 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.02 40.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' A' ' 55' ' ' LYS . . . -86.39 131.38 34.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.432 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -116.88 -30.96 5.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.835 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.86 153.42 27.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.561 ' O ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -66.51 -56.7 9.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.655 ' HA ' HD13 ' A' ' 65' ' ' ILE . 13.4 p80 -37.72 -38.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.593 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.457 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -62.09 -59.61 4.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 12.2 m-30 -38.05 -50.81 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.655 HD13 ' HA ' ' A' ' 62' ' ' HIS . 3.4 mp -42.84 -63.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ASN . 9.2 mt-30 -51.77 -55.09 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 66' ' ' GLN . 1.5 m-20 -37.65 -46.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.613 ' CD2' HG13 ' A' ' 86' ' ' VAL . 37.3 m-85 -72.57 -47.04 51.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -41.39 -42.47 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.606 HG22 HG22 ' A' ' 49' ' ' ILE . 96.0 mt -68.25 -55.62 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.9 tm? -51.96 -54.36 30.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.643 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -46.91 -40.18 13.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -64.18 -33.47 75.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -54.35 -31.51 50.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.477 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.3 m-30 -77.78 -53.77 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -26.13 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -72.56 -45.0 61.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.5 mmt -82.0 -56.36 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 75' ' ' PHE . . . 138.9 56.92 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.413 HG12 ' HB3' ' A' ' 82' ' ' LYS . 76.6 t -124.97 101.17 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.96 65.3 6.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 45.6 tptt -116.71 121.3 41.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.6 mm -78.91 114.8 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.643 HD12 ' HG2' ' A' ' 72' ' ' GLN . 16.8 mt -87.14 122.09 71.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.04 65.93 6.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.526 1.803 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.843 ' O ' HG22 ' A' ' 90' ' ' VAL . 55.9 t -63.08 -64.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -38.91 -30.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.0 mtpp -90.45 -60.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 100' ' ' PHE . 81.3 mt -44.21 -45.17 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 86' ' ' VAL . 31.6 m -63.84 -36.18 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 88' ' ' LYS . 13.8 mttp -66.33 -24.78 66.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.42 100.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.81 27.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 96' ' ' ASP . 39.4 t80 53.08 177.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.424 ' N ' ' CD2' ' A' ' 94' ' ' PHE . 0.3 OUTLIER 65.56 -69.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.4 m-20 -61.64 -16.27 47.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.436 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 1.6 m-80 -90.43 -37.1 14.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.526 ' HA ' HG12 ' A' ' 101' ' ' VAL . 1.8 t80 -80.42 -40.97 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.07 -7.53 36.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.816 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 13.8 t80 -100.3 -50.1 4.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.631 HG22 ' HE2' ' A' ' 13' ' ' MET . 8.7 p -58.8 -55.62 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.546 ' N ' HG13 ' A' ' 101' ' ' VAL . 1.4 pp0? -39.54 -47.82 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 64.9 t90 -62.43 -55.77 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.816 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -46.82 -51.63 16.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.545 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 3.6 tmtt? -55.21 -64.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.56 -55.4 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -55.01 -50.23 69.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.534 ' CD2' HD11 ' A' ' 44' ' ' LEU . 1.5 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.77 -54.95 40.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.426 ' O ' HD12 ' A' ' 17' ' ' ILE . 78.1 mmm -66.34 -52.46 46.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.482 ' N ' HD23 ' A' ' 14' ' ' LEU . 5.1 mt -43.55 -42.96 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.74 91.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.523 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 42.4 t90 -49.73 -48.93 49.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.677 HG23 HD12 ' A' ' 21' ' ' LEU . 2.9 mp -74.22 -62.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 26.3 m-20 -40.42 -60.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.95 53.31 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.5 m -172.25 -40.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.801 HD22 ' HB3' ' A' ' 39' ' ' GLN . 80.5 mt -115.71 -1.01 12.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 23' ' ' LEU . 2.2 mt-30 65.76 11.22 7.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD23 ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -53.48 -172.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -158.41 72.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 30' ' ' GLN . 16.2 mt -112.68 141.52 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.831 HG23 ' HG3' ' A' ' 27' ' ' LYS . 1.7 t -101.62 -27.84 12.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.831 ' HG3' HG23 ' A' ' 26' ' ' THR . 2.5 mtpm? -121.89 165.34 16.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.697 HD12 HG11 ' A' ' 101' ' ' VAL . 3.9 mm -75.63 -38.81 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.03 -20.01 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.716 ' HB3' HD22 ' A' ' 25' ' ' LEU . 10.4 mm-40 -58.56 -17.02 18.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -92.59 29.72 1.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.481 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 30.8 p -93.47 20.53 7.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p -108.47 -61.97 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.6 48.72 1.01 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.23 -54.88 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.65 -63.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -41.27 -55.29 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.689 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.1 m -46.11 -60.19 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.801 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.39 -59.07 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.495 ' CE2' ' CZ3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -44.16 -53.4 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.525 ' HB3' HD11 ' A' ' 49' ' ' ILE . 22.5 mmm -52.49 -61.18 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' MET . 1.2 t70 -39.63 -43.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 ttm -62.62 -47.39 83.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.453 HD11 ' CD2' ' A' ' 108' ' ' PHE . 83.0 mt -72.27 -64.79 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' MET . 53.0 m-85 -115.88 103.72 53.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.43 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.55 -27.54 12.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.2 p -55.36 -29.88 59.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 0.756 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.689 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -118.81 -170.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -133.9 67.55 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.763 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -50.18 -22.84 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.78 39.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -157.85 -45.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.651 HG11 HD23 ' A' ' 51' ' ' LEU . 5.6 p -46.09 153.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -102.73 99.05 8.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.763 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.1 m-85 -88.54 32.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -168.03 30.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.233 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -74.76 132.71 41.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.479 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -111.51 -31.38 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.832 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.52 155.34 23.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -67.82 -54.02 22.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 16.2 p80 -39.81 -36.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.702 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -64.23 -53.43 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.763 ' HB3' HG12 ' A' ' 90' ' ' VAL . 8.7 m-30 -43.55 -41.35 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.549 HG13 HG11 ' A' ' 90' ' ' VAL . 1.1 mp -56.5 -69.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.487 ' N ' HG22 ' A' ' 65' ' ' ILE . 15.4 mt-30 -42.47 -52.96 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -42.71 -51.9 5.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' HB3' HG22 ' A' ' 86' ' ' VAL . 23.5 m-85 -66.96 -44.0 81.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -44.0 -44.07 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.9 mt -66.2 -57.86 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.8 tm? -48.9 -46.89 43.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.3 -46.38 25.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.99 66.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -58.72 -20.5 47.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.49 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.3 m-30 -94.18 -58.13 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.95 -28.52 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 72.7 mtt-85 -72.75 -39.39 66.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.9 mmt -85.61 -67.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 147.91 52.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.476 HG12 ' HB3' ' A' ' 82' ' ' LYS . 51.4 t -108.29 119.71 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.48 66.86 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 23.1 tptt -141.08 111.5 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.4 mm -90.2 84.64 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.869 HG22 HG23 ' A' ' 86' ' ' VAL . 59.3 mt -41.94 139.83 1.6 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.2 Cg_endo -75.02 -52.51 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.869 HG23 HG22 ' A' ' 84' ' ' ILE . 98.7 t 65.31 -73.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 43.4 t0 -45.4 -25.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 86' ' ' VAL . 3.5 mtpp -88.83 -39.12 14.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' VAL . 14.9 mt -70.43 -55.71 8.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.763 HG12 ' HB3' ' A' ' 64' ' ' TYR . 24.1 m -54.65 -30.08 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 8.1 mmmt -72.9 -23.26 60.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.04 70.7 1.02 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -102.46 12.63 36.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 97' ' ' ASN . 46.9 t80 57.51 -80.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' LYS . 54.7 tt0 -46.3 -55.52 7.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -52.79 -21.14 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.508 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -91.47 -56.5 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.64 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.6 t80 -57.04 -39.09 74.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.422 ' HG3' ' CG ' ' A' ' 95' ' ' GLN . 30.7 mm-40 -76.03 -4.75 43.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.0 t80 -108.1 -32.87 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.697 HG11 HD12 ' A' ' 28' ' ' ILE . 14.5 p -76.99 -44.06 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.6 pt20 -55.98 -23.37 32.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 28.2 t90 -87.81 -44.23 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.044 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -56.6 -25.56 53.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 5.2 tmtt? -85.24 -54.12 4.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -51.75 25.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -56.41 -54.94 39.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.453 ' CD2' HD11 ' A' ' 44' ' ' LEU . 1.7 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -54.83 -52.29 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.465 ' HB2' HD11 ' A' ' 28' ' ' ILE . 85.5 mmm -70.5 -53.25 16.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.543 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.1 mt -42.53 -42.45 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.16 90.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.523 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 26.7 t90 -46.16 -77.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.596 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.1 mp -46.95 -53.91 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -43.9 -46.3 7.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.63 59.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -157.37 -44.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.963 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.781 ' HB2' HD21 ' A' ' 23' ' ' LEU . 1.3 mt -128.99 4.36 5.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.449 ' C ' HD22 ' A' ' 23' ' ' LEU . 0.7 OUTLIER 70.39 71.71 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.781 HD21 ' HB2' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -107.24 -159.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -176.9 68.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.702 HD22 ' HB3' ' A' ' 30' ' ' GLN . 58.0 mt -98.0 145.09 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.922 HG23 ' HG3' ' A' ' 27' ' ' LYS . 9.5 t -105.89 -21.88 13.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.922 ' HG3' HG23 ' A' ' 26' ' ' THR . 45.1 mtpt -128.96 158.4 38.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.763 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.2 mm -74.62 -28.92 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -66.57 -9.88 39.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.702 ' HB3' HD22 ' A' ' 25' ' ' LEU . 12.8 mm-40 -66.31 -10.7 45.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -93.44 27.14 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.5 p -94.47 32.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 108.336 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 p -116.87 -49.81 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.13 49.05 3.62 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' ALA . . . -123.74 -57.31 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -38.58 -56.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -49.64 -56.82 8.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.756 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -44.78 -68.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.747 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -41.0 -53.26 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -49.21 58.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.635 ' HB3' HD11 ' A' ' 49' ' ' ILE . 14.7 mmm -54.34 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -44.02 -33.08 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -72.38 -40.19 67.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' MET . 94.2 mt -83.98 -64.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' MET . 82.9 m-85 -101.78 109.82 60.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.3 7.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.08 40.45 13.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.482 ' C ' HD13 ' A' ' 49' ' ' ILE . 22.2 p -112.6 -34.1 5.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.013 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.756 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -120.65 -176.99 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -122.25 66.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.654 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.3 mt -46.4 -25.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' CD ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.47 41.43 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -160.58 -44.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.635 HG11 HD23 ' A' ' 51' ' ' LEU . 5.8 p -47.15 153.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -104.09 100.6 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.654 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.1 m-85 -89.76 36.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -172.09 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.693 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -71.07 131.4 43.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -116.48 -7.09 11.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.783 HD12 ' NE2' ' A' ' 62' ' ' HIS . 6.9 mt -114.66 154.42 28.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 mt-10 -65.41 -54.23 31.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.783 ' NE2' HD12 ' A' ' 60' ' ' LEU . 17.7 p80 -39.75 -33.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.618 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.693 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -68.87 -60.22 2.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.68 ' HB3' HG12 ' A' ' 90' ' ' VAL . 14.2 m-30 -37.01 -42.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 66' ' ' GLN . 1.1 mp -53.33 -72.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.532 ' N ' HG22 ' A' ' 65' ' ' ILE . 15.9 mt-30 -42.33 -54.11 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' GLN . 3.0 m-20 -39.92 -53.36 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CD2' HG13 ' A' ' 86' ' ' VAL . 14.0 m-85 -66.49 -45.17 80.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -42.89 -43.98 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.673 HG22 HG22 ' A' ' 49' ' ' ILE . 95.0 mt -66.54 -55.21 19.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.537 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -50.42 -52.44 37.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.414 ' NE2' HG13 ' A' ' 84' ' ' ILE . 2.5 tp60 -50.71 -37.98 44.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -65.92 -22.66 66.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -71.19 -17.53 75.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.48 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.2 m-30 -89.65 -49.27 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -36.57 82.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -56.84 -50.68 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.4 mmm -79.42 -66.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 156.83 65.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.426 ' HB ' ' CB ' ' A' ' 75' ' ' PHE . 78.1 t -135.28 113.38 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -95.49 67.0 2.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 43.4 tptt -117.1 123.91 47.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.8 mm -79.15 109.82 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.537 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 17.9 mt -83.49 118.63 72.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -75.03 65.91 6.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.905 ' O ' HG22 ' A' ' 90' ' ' VAL . 39.2 t -64.24 -63.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' VAL . 43.6 t0 -39.32 -30.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 91' ' ' LYS . 24.5 mtpt -90.96 -59.49 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.506 HD13 ' CE1' ' A' ' 68' ' ' PHE . 73.5 mt -44.32 -42.97 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.905 HG22 ' O ' ' A' ' 86' ' ' VAL . 35.3 m -68.19 -35.41 71.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 88' ' ' LYS . 9.2 mtpt -71.96 -15.14 62.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.3 64.31 2.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 96' ' ' ASP . 14.7 mmtt -99.52 84.26 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -37.88 -34.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.461 ' CG ' ' OE2' ' A' ' 99' ' ' GLU . 27.8 tt0 -70.12 -50.29 42.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.448 ' OD2' ' CB ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -85.21 9.71 14.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.518 ' HB3' HG22 ' A' ' 28' ' ' ILE . 1.4 m-80 -107.51 -31.5 8.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.49 ' HA ' HG12 ' A' ' 101' ' ' VAL . 3.8 t80 -94.69 -32.66 13.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.461 ' OE2' ' CG ' ' A' ' 95' ' ' GLN . 41.9 mt-10 -80.7 -11.13 59.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.806 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 1.3 t80 -97.22 -33.48 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 98' ' ' PHE . 8.4 p -77.02 -36.96 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 9.8 pt20 -60.8 -29.29 69.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 21.9 t90 -82.17 -45.69 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 107.988 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.806 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -52.53 -44.27 65.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 13.1 tttt -61.96 -60.42 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -60.23 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -53.4 -46.43 69.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -53.57 -60.28 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.547 ' HE2' HG22 ' A' ' 101' ' ' VAL . 82.5 mmm -63.15 -54.19 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 14' ' ' LEU . 5.0 mt -40.82 -44.76 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.79 -49.62 77.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 38.5 t90 -46.35 -59.81 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.04 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.48 HG22 HD23 ' A' ' 23' ' ' LEU . 3.5 mp -61.19 -59.91 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -40.28 -45.22 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 55.12 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -155.98 -44.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.73 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -131.32 7.86 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 64.9 46.72 2.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.259 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.605 HD21 HD12 ' A' ' 21' ' ' LEU . 1.9 mm? -67.23 -177.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.5 54.16 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.805 HD22 ' HB3' ' A' ' 30' ' ' GLN . 24.1 mt -99.18 145.46 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p -113.87 -22.59 10.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.438 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -127.62 165.85 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.746 ' O ' HD12 ' A' ' 31' ' ' LEU . 5.7 mm -74.93 -31.72 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -18.15 57.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.805 ' HB3' HD22 ' A' ' 25' ' ' LEU . 14.9 mm-40 -60.42 -15.2 24.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -93.06 28.74 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.43 -2.28 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 p -85.5 -63.3 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.7 45.56 1.63 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.565 1.165 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HB1' ' CE1' ' A' ' 56' ' ' PHE . . . -115.68 -53.4 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -40.1 -58.74 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -45.86 -54.19 8.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.763 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.2 m -50.57 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.73 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -41.49 -46.78 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.436 ' CE2' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -56.37 -47.42 78.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.595 ' HB3' HD11 ' A' ' 49' ' ' ILE . 15.7 mmm -58.01 -62.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -40.91 -33.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -44.71 52.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.495 HD12 ' CE2' ' A' ' 108' ' ' PHE . 89.0 mt -80.9 -65.73 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' MET . 34.8 m-85 -98.71 109.35 52.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 137.56 21.94 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.35 42.02 97.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 92.2 p -113.32 -30.04 7.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.763 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -118.14 -170.19 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.56 57.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.534 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -44.82 -25.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -88.15 39.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HB3' HD13 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -157.83 -45.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.534 ' CG1' HD23 ' A' ' 51' ' ' LEU . 5.3 p -45.51 161.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' N ' HG22 ' A' ' 54' ' ' VAL . 37.2 mmtt -115.83 101.68 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.522 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.3 m-85 -89.35 32.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -162.92 29.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.715 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -66.63 125.28 25.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.457 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -107.59 -7.24 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.752 HD12 ' NE2' ' A' ' 62' ' ' HIS . 9.4 mt -119.98 158.47 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.58 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -68.34 -55.33 12.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.752 ' NE2' HD12 ' A' ' 60' ' ' LEU . 14.5 p80 -38.48 -32.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.715 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 2.4 mm-40 -69.52 -57.26 5.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.58 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 13.2 m-30 -37.96 -49.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.586 HG13 HG11 ' A' ' 90' ' ' VAL . 1.2 mp -42.74 -65.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -44.95 -53.75 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -42.98 -49.48 5.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.588 ' HB3' HG22 ' A' ' 86' ' ' VAL . 44.8 m-85 -70.77 -46.94 62.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -45.09 -43.38 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.512 HG22 HG22 ' A' ' 49' ' ' ILE . 93.6 mt -67.79 -58.2 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.552 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.2 tm? -43.11 -54.1 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -38.18 -49.62 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -44.59 -47.74 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.478 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -40.4 -42.89 2.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 m-30 -71.06 -62.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -70.19 60.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.453 ' CG ' ' O ' ' A' ' 76' ' ' LYS . 43.2 mtt-85 -164.91 -42.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.428 ' HG3' ' CD2' ' A' ' 45' ' ' PHE . 44.4 mmm -95.44 -37.54 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 136.61 69.31 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.414 ' HB ' ' CB ' ' A' ' 75' ' ' PHE . 5.2 t -148.23 126.64 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -117.13 64.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.572 ' HE2' ' CE3' ' A' ' 103' ' ' TRP . 27.9 tptt -111.34 134.87 52.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.3 mm -86.29 109.78 19.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.552 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 16.9 mt -82.5 115.64 59.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.05 64.09 6.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.783 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.842 ' O ' HG22 ' A' ' 90' ' ' VAL . 25.6 t -59.17 -61.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.467 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 2.2 t0 -39.05 -40.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 91' ' ' LYS . 20.4 mtpp -81.21 -60.73 2.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.516 HD13 ' CE1' ' A' ' 68' ' ' PHE . 82.4 mt -42.9 -52.38 5.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.842 HG22 ' O ' ' A' ' 86' ' ' VAL . 21.5 m -62.44 -34.49 64.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -75.05 -14.0 60.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' LYS . . . 64.15 75.95 0.33 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.6 OUTLIER -95.15 6.86 47.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 0.736 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.447 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 40.3 t80 57.03 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -48.67 -52.54 22.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -16.89 15.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.637 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -91.67 -35.26 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.481 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.5 t80 -80.5 -37.45 31.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -78.42 -7.84 57.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.812 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 4.4 t80 -101.2 -34.22 9.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 102' ' ' GLN . 14.4 p -73.64 -54.89 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.56 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -41.82 -32.2 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.572 ' CE3' ' HE2' ' A' ' 82' ' ' LYS . 71.5 t90 -77.79 -56.43 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.052 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.812 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -44.55 -40.8 5.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.475 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 4.3 tmtt? -68.06 -53.97 21.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -58.28 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -52.36 -59.32 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.495 ' CE2' HD12 ' A' ' 44' ' ' LEU . 2.0 m-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 15' ' ' ALA . 25.7 t-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -64.37 -35.6 81.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.472 ' SD ' HG13 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -88.08 -50.51 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.522 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.9 mt -45.6 -45.9 14.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.577 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . . . -61.05 -45.93 92.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.515 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 25.0 t90 -46.6 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 107.972 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.593 HG22 HD23 ' A' ' 23' ' ' LEU . 2.7 mp -55.61 -58.51 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 96.6 m-20 -40.05 -46.35 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.63 56.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.443 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 61.6 m -152.58 -44.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -129.25 5.33 5.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 71.77 68.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 21' ' ' LEU . 1.1 mm? -108.16 -158.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -171.85 58.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 30' ' ' GLN . 23.2 mt -78.86 140.75 38.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.91 -30.05 8.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.77 147.52 50.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.746 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.7 mm -60.1 -17.49 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.06 -4.48 38.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.79 ' HB3' HD22 ' A' ' 25' ' ' LEU . 9.1 mm-40 -71.29 -13.4 61.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.99 27.02 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.9 p -81.69 -19.14 42.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 108.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -72.4 -63.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.86 48.45 1.62 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.492 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -118.07 -48.92 2.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -40.12 -54.23 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -50.87 -56.68 11.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.699 ' SG ' HG21 ' A' ' 49' ' ' ILE . 0.9 OUTLIER -44.49 -65.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.338 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.696 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -45.44 -60.1 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -42.89 -53.84 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.563 ' HB3' HD11 ' A' ' 49' ' ' ILE . 12.3 mmm -49.15 -63.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.25 -44.27 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -60.91 -42.16 97.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' MET . 93.1 mt -77.38 -61.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' MET . 97.3 m-85 -108.72 109.81 61.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 111.45 3.33 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.6 42.01 4.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 p -115.09 -33.62 5.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.699 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -114.77 -175.11 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.453 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -119.97 60.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.595 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -44.18 -27.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.87 42.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.655 ' HB3' HD13 ' A' ' 70' ' ' ILE . 8.9 ttpt -160.74 -44.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.518 HG11 HD23 ' A' ' 51' ' ' LEU . 6.8 p -46.19 153.37 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 14.7 mmtt -109.51 99.31 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.595 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 4.5 m-30 -81.91 -25.91 34.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -99.92 29.68 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.558 ' HB2' ' HB3' ' A' ' 55' ' ' LYS . . . -76.62 126.08 30.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.25 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.433 ' C ' HD13 ' A' ' 60' ' ' LEU . 7.6 mmmt -112.03 -32.87 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.843 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -79.81 162.09 25.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.71 ' O ' HD12 ' A' ' 65' ' ' ILE . 2.1 tt0 -78.11 -42.45 31.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.431 ' CE1' ' HG2' ' A' ' 63' ' ' GLU . 35.1 p80 -52.16 -26.86 12.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.579 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.484 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.5 mm-40 -74.49 -55.99 5.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.75 ' HB3' HG12 ' A' ' 90' ' ' VAL . 11.9 m-30 -36.73 -47.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 61' ' ' GLU . 2.9 mp -47.21 -66.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -43.02 -54.61 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -40.36 -55.05 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.519 ' HB3' HG22 ' A' ' 86' ' ' VAL . 48.9 m-85 -64.78 -46.82 80.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.27 -46.28 3.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.655 HD13 ' HB3' ' A' ' 53' ' ' LYS . 90.2 mt -67.14 -56.79 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.574 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -47.13 -49.27 22.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.36 -45.08 35.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.53 64.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -65.11 -26.84 71.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.564 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.0 m-30 -84.61 -47.95 10.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -24.06 66.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.5 mtt-85 -77.43 -56.79 4.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.1 mmt -65.3 -57.01 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.83 45.94 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.51 HG13 ' CZ ' ' A' ' 107' ' ' PHE . 95.2 t -96.99 107.18 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.37 69.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' CB ' ' CH2' ' A' ' 103' ' ' TRP . 41.7 tptt -142.58 139.19 31.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mt -111.56 93.7 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.979 HG22 HG23 ' A' ' 86' ' ' VAL . 48.0 mt -53.17 138.37 47.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.55 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.1 Cg_endo -74.98 -53.85 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.979 HG23 HG22 ' A' ' 84' ' ' ILE . 97.4 t 65.33 -74.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -35.43 -42.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -49.6 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 68' ' ' PHE . 61.1 mt -53.12 -59.74 4.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.75 HG12 ' HB3' ' A' ' 64' ' ' TYR . 35.7 m -53.95 -29.75 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 8.9 mmmt -76.47 -21.59 55.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.58 76.95 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 95' ' ' GLN . 4.7 mtmt -108.69 23.02 15.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 45.3 t80 55.95 -84.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -44.78 -60.81 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -45.14 -25.73 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.502 ' O ' HG12 ' A' ' 101' ' ' VAL . 0.9 OUTLIER -90.33 -51.12 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.558 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.3 t80 -59.47 -39.33 83.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.38 -2.25 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.809 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 5.6 t80 -110.53 -40.35 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.706 HG11 HD12 ' A' ' 28' ' ' ILE . 6.1 p -71.06 -35.76 60.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.472 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 1.5 pp0? -63.92 -40.56 96.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CH2' ' CB ' ' A' ' 82' ' ' LYS . 41.6 t90 -69.59 -55.03 11.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.809 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -42.89 -45.61 5.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.515 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 12.5 tttp -61.87 -56.45 19.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.35 -50.09 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.51 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 47.8 t80 -63.39 -56.64 14.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -57.77 -48.01 80.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.582 ' HB2' HD11 ' A' ' 28' ' ' ILE . 72.4 mmm -74.58 -51.94 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.867 HD21 HG12 ' A' ' 28' ' ' ILE . 3.9 mt -44.95 -42.27 8.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.69 98.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 15.4 t90 -46.06 -75.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.54 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.7 mp -48.88 -57.23 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -41.19 -45.14 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.28 60.14 1.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.432 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 12.0 m -157.82 -44.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -128.91 4.83 5.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.32 72.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -109.79 -157.72 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -175.67 52.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 30' ' ' GLN . 51.0 mt -82.12 149.13 28.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.3 p -113.93 -18.55 11.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.57 143.01 50.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.867 HG12 HD21 ' A' ' 14' ' ' LEU . 3.6 mm -62.26 -30.07 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' CG ' ' HA ' ' A' ' 94' ' ' PHE . 6.9 mt-10 -62.01 -13.74 28.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.794 ' HB3' HD22 ' A' ' 25' ' ' LEU . 23.4 mm-40 -63.92 -16.59 61.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -93.31 28.84 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.0 p -87.38 1.55 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 p -91.82 -32.58 15.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.17 50.69 26.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.621 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -119.97 -50.95 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.97 -58.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -47.25 -52.37 16.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.713 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -49.51 -65.71 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.313 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.61 ' HB3' HD22 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -48.34 -45.5 35.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.479 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -58.07 -37.35 74.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.599 ' HB3' HD11 ' A' ' 49' ' ' ILE . 17.8 mmm -68.42 -66.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 41' ' ' MET . 0.4 OUTLIER -38.02 -31.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' MET . 2.0 ttp -75.97 -51.79 11.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.511 HD12 ' CE2' ' A' ' 108' ' ' PHE . 78.8 mt -71.53 -53.66 13.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 41' ' ' MET . 60.0 m-85 -107.96 113.42 61.01 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 126.52 10.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.428 1.752 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.72 54.13 33.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 45' ' ' PHE . 2.5 p -121.13 -35.61 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.713 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -111.35 -165.8 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -132.48 61.06 1.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.663 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.9 mt -45.69 -25.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.94 40.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.525 ' HB3' HD13 ' A' ' 70' ' ' ILE . 15.9 ttpt -158.59 -45.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.609 HG11 HD23 ' A' ' 51' ' ' LEU . 5.3 p -47.91 156.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.549 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 1.3 mmpt? -115.69 87.49 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.663 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.2 m-85 -69.07 -32.66 72.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -95.46 39.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.665 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -86.69 130.46 34.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -111.87 -31.42 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.835 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.82 156.57 26.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.57 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -68.76 -54.25 17.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 15.9 p80 -39.85 -37.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.665 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.1 mm-40 -63.43 -53.84 45.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.752 ' HB3' HG12 ' A' ' 90' ' ' VAL . 8.7 m-30 -42.93 -43.27 4.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.546 HG13 HG11 ' A' ' 90' ' ' VAL . 1.1 mp -54.91 -68.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.435 ' N ' HG22 ' A' ' 65' ' ' ILE . 5.5 mt-30 -42.33 -53.15 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.5 m-20 -42.55 -53.19 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.588 ' HB3' HG22 ' A' ' 86' ' ' VAL . 28.7 m-85 -66.24 -44.75 82.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -43.63 -43.49 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.546 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 95.7 mt -69.38 -55.64 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.511 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -48.58 -54.8 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.0 -37.51 4.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -64.26 -40.47 96.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -45.77 -41.11 9.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.158 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.558 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.3 m-30 -63.62 -56.6 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -70.26 60.29 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 75' ' ' PHE . 40.3 mtt180 -160.13 -57.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 30.1 mmm -79.37 -63.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.52 66.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 t -140.39 123.08 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -113.44 65.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 33.7 tptt -120.7 127.84 52.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.2 mm -87.42 105.04 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.929 HG22 HG23 ' A' ' 86' ' ' VAL . 10.9 mt -70.35 142.81 89.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.247 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.731 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -74.94 -56.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.929 HG23 HG22 ' A' ' 84' ' ' ILE . 70.5 t 63.79 -77.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.514 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 2.0 m-20 -41.09 -35.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -80.59 -42.53 22.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.372 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 86' ' ' VAL . 20.9 mt -64.23 -57.57 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.752 HG12 ' HB3' ' A' ' 64' ' ' TYR . 26.1 m -55.0 -31.7 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 6.5 mmmt -74.37 -3.39 30.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 47.33 71.73 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' GLN . 1.7 mmmt -101.93 9.34 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ASN . 51.0 t80 57.36 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -45.17 -58.81 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -48.3 -24.28 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.462 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -89.24 -38.48 14.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.618 ' HA ' HG12 ' A' ' 101' ' ' VAL . 21.5 t80 -72.01 -37.33 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -77.37 -7.87 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.808 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.7 t80 -104.96 -32.28 8.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.712 HG11 HD12 ' A' ' 28' ' ' ILE . 14.9 p -75.74 -46.09 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.409 ' N ' HG13 ' A' ' 101' ' ' VAL . 9.2 pt20 -52.17 -24.61 7.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.565 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 70.5 t90 -86.62 -58.49 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 107.996 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.808 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -44.92 -36.07 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.508 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 6.0 tmtt? -73.98 -54.86 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -52.72 19.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -60.67 -52.76 63.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.511 ' CE2' HD12 ' A' ' 44' ' ' LEU . 1.6 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -87.1 -43.65 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.616 ' HE2' HG22 ' A' ' 101' ' ' VAL . 70.8 mmm -79.83 -43.32 22.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.549 HD21 HG12 ' A' ' 28' ' ' ILE . 5.2 mt -41.95 -43.5 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.35 84.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 31.1 t90 -47.92 -62.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.493 HG22 ' HB2' ' A' ' 23' ' ' LEU . 3.4 mp -57.19 -58.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.3 m-20 -42.35 -45.91 4.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.73 49.91 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.7 m -149.97 -45.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.774 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -132.72 7.8 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 67.58 43.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.547 ' CD2' HD12 ' A' ' 21' ' ' LEU . 1.7 mm? -66.79 -178.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.04 58.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.905 HD22 ' HB3' ' A' ' 30' ' ' GLN . 28.9 mt -98.98 144.83 27.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.693 HG23 ' HG2' ' A' ' 27' ' ' LYS . 7.9 t -113.86 -25.25 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.438 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.693 ' HG2' HG23 ' A' ' 26' ' ' THR . 24.3 mmtm -131.01 140.29 50.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.587 HD12 HG11 ' A' ' 101' ' ' VAL . 2.2 mm -46.77 -48.37 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -40.14 -29.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.905 ' HB3' HD22 ' A' ' 25' ' ' LEU . 23.8 mm-40 -48.83 -22.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.529 HD11 HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -91.59 31.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' GLU . 23.0 p -89.91 -15.15 32.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 108.323 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.8 p -78.88 -61.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.88 51.5 0.95 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.489 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -113.36 -55.68 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.75 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -38.56 -59.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -43.6 -48.55 7.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.691 ' SG ' HG21 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -55.25 -65.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.774 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -49.65 -51.36 38.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.501 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -50.16 -44.9 52.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.574 ' HB3' HD11 ' A' ' 49' ' ' ILE . 12.3 mmm -58.87 -59.26 5.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.56 -40.74 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -32.9 74.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' MET . 87.3 mt -91.42 -70.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' MET . 86.4 m-85 -98.08 109.47 51.89 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.51 11.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.84 38.77 41.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p -112.83 -31.24 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.002 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.691 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -119.29 -177.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.38 64.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.631 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -46.32 -27.21 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 43.75 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -162.36 -44.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.539 HG11 ' HE1' ' A' ' 56' ' ' PHE . 6.8 p -49.49 149.61 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 12.3 mmtm -107.92 87.83 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.631 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.4 m-30 -66.88 -40.84 87.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.16 44.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.643 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -87.61 127.82 35.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.429 ' C ' HD13 ' A' ' 60' ' ' LEU . 1.8 mtpp -111.06 -32.19 6.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.02 158.22 25.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.587 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -68.87 -55.95 9.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 12.9 p80 -38.98 -39.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.643 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -59.35 -56.25 24.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.587 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 7.5 m-30 -41.77 -52.15 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.044 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.636 HD12 ' H ' ' A' ' 65' ' ' ILE . 3.6 mp -45.9 -69.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' ASN . 13.6 mt-30 -41.52 -57.83 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.2 m-20 -39.67 -53.11 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.687 ' HB3' HG22 ' A' ' 86' ' ' VAL . 41.1 m-85 -66.2 -45.98 78.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -42.59 -42.02 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.85 -56.9 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.602 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.9 tm? -47.77 -50.68 24.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.24 -40.33 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.48 78.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.03 -24.97 22.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.485 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.8 m-30 -85.5 -57.82 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -18.09 34.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -75.83 -43.18 47.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 48.9 mmm -90.05 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.06 69.25 0.01 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.441 HG12 ' HB3' ' A' ' 82' ' ' LYS . 55.8 t -121.57 107.99 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 70.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.573 ' CG ' ' CH2' ' A' ' 103' ' ' TRP . 47.2 tptt -145.13 137.05 25.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mt -116.1 91.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.705 HG22 HG23 ' A' ' 86' ' ' VAL . 47.7 mt -53.78 141.37 47.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.05 -49.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.705 HG23 HG22 ' A' ' 84' ' ' ILE . 99.1 t 65.65 -71.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.6 OUTLIER -45.42 -25.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.4 mtpp -92.15 -38.01 12.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.554 HD11 ' CE2' ' A' ' 100' ' ' PHE . 55.9 mt -73.1 -18.44 61.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' VAL . 6.3 m -101.96 12.04 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -111.11 -13.31 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.42 59.36 10.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.7 OUTLIER -94.43 9.03 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 0.786 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 97' ' ' ASN . 75.5 t80 58.08 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -46.05 -59.18 3.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.296 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -19.43 8.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.579 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -90.18 -20.17 23.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.467 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.6 t80 -97.24 -41.52 8.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -71.07 -4.53 25.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.793 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 14.7 t80 -102.05 -47.7 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.616 HG22 ' HE2' ' A' ' 13' ' ' MET . 10.0 p -61.31 -55.41 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.546 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -38.57 -45.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CH2' ' CG ' ' A' ' 82' ' ' LYS . 64.6 t90 -67.04 -61.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 107.952 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.793 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -38.4 -37.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.519 ' CB ' ' HE1' ' A' ' 13' ' ' MET . 4.4 tmtt? -70.09 -62.7 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.98 -50.15 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -63.59 -45.19 91.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.434 ' CE2' HD12 ' A' ' 44' ' ' LEU . 1.2 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -69.96 -37.73 75.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.59 ' HE1' ' CB ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -81.97 -49.25 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.479 HD13 ' C ' ' A' ' 26' ' ' THR . 8.2 mt -42.98 -46.01 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.35 82.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' MET . 23.1 t90 -46.86 -69.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 108.009 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.809 HG22 HD23 ' A' ' 23' ' ' LEU . 3.2 mp -54.12 -59.04 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' ILE . 94.5 m-20 -39.66 -47.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.86 61.61 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.458 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 47.1 m -161.64 -42.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.75 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -128.38 5.48 5.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.5 66.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.809 HD23 HG22 ' A' ' 17' ' ' ILE . 1.1 mm? -106.47 -159.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -169.53 56.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 30' ' ' GLN . 28.2 mt -81.95 145.62 30.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.479 ' C ' HD13 ' A' ' 14' ' ' LEU . 68.2 p -113.4 -23.3 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -131.15 161.01 33.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.802 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.8 mm -75.86 -27.56 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.28 -8.33 31.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.474 ' HB3' HD22 ' A' ' 25' ' ' LEU . 6.8 mm-40 -69.53 -14.26 62.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.58 28.31 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.4 p -77.6 -20.02 54.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 108.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 p -73.64 -61.5 1.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.08 55.99 1.09 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.508 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -121.1 -46.81 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.16 -52.2 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -52.75 -49.43 65.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.734 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.1 m -51.21 -54.35 26.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.316 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.608 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -55.84 -57.58 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.458 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -45.05 -39.01 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.601 ' HB3' HD11 ' A' ' 49' ' ' ILE . 12.9 mmm -65.34 -63.59 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.84 -36.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -42.42 69.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.615 HD12 ' CE2' ' A' ' 108' ' ' PHE . 59.8 mt -83.25 -69.41 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 41' ' ' MET . 50.7 m-85 -89.47 112.14 49.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 123.0 7.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.13 51.68 32.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.448 ' C ' HD13 ' A' ' 49' ' ' ILE . 2.9 p -117.99 -33.17 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.734 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -117.66 -172.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.62 67.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.726 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.3 mt -48.7 -24.17 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.67 41.24 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -161.04 -43.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.571 HG11 HD23 ' A' ' 51' ' ' LEU . 7.4 p -49.44 151.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 3.3 mmtt -101.84 101.5 11.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.726 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.1 m-85 -90.29 39.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -178.03 37.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -74.51 135.33 42.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.564 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -115.87 -9.65 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.708 HD12 ' NE2' ' A' ' 62' ' ' HIS . 4.0 mt -108.24 157.11 18.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.8 mt-10 -70.53 -56.95 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.708 ' NE2' HD12 ' A' ' 60' ' ' LEU . 10.6 p80 -38.77 -31.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.537 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.528 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 2.0 mm-40 -70.79 -59.7 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.604 ' HB3' HG12 ' A' ' 90' ' ' VAL . 13.9 m-30 -36.34 -43.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.728 HG13 HG11 ' A' ' 90' ' ' VAL . 1.2 mp -53.78 -67.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ASN . 11.9 mt-30 -42.7 -56.0 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 3.0 m-20 -39.76 -52.19 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.645 ' HB3' HG22 ' A' ' 86' ' ' VAL . 37.8 m-85 -68.1 -44.74 75.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -44.18 -48.2 9.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.645 HG22 HG22 ' A' ' 49' ' ' ILE . 89.1 mt -62.19 -56.42 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.627 HD11 ' HZ ' ' A' ' 104' ' ' PHE . 1.7 tm? -47.36 -55.23 9.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -43.0 -62.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.17 -33.17 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -53.57 -23.63 21.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.464 ' CD2' ' CG1' ' A' ' 80' ' ' VAL . 8.8 m-30 -87.59 -60.76 1.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -53.94 -25.8 22.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -68.51 -55.32 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 62.8 mmm -76.02 -70.21 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.53 60.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.464 ' CG1' ' CD2' ' A' ' 75' ' ' PHE . 24.5 t -125.86 103.32 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.01 71.48 6.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 44.1 tptt -126.96 135.34 50.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.1 mm -100.97 104.79 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.006 HG22 HG23 ' A' ' 86' ' ' VAL . 69.7 mt -74.93 143.63 78.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.767 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -74.96 -60.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 1.006 HG23 HG22 ' A' ' 84' ' ' ILE . 62.7 t 65.2 -77.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.9 OUTLIER -42.34 -27.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.8 mtpp -88.35 -44.13 11.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' VAL . 16.7 mt -65.24 -47.97 74.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.728 HG11 HG13 ' A' ' 65' ' ' ILE . 23.1 m -61.43 -31.99 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 92' ' ' GLY . 0.8 OUTLIER -70.63 -8.72 53.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' LYS . . . 35.74 87.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -141.01 24.85 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' ASP . 34.3 t80 49.52 178.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 66.16 -68.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 44.0 m-20 -53.52 -20.61 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.861 ' O ' HG12 ' A' ' 101' ' ' VAL . 1.1 m-80 -90.35 -44.15 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.508 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.6 t80 -68.87 -35.77 77.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -78.13 -7.11 56.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.806 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 1.6 t80 -107.12 -46.45 3.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 97' ' ' ASN . 4.4 p -60.31 -41.04 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -52.58 -47.16 67.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.579 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 69.2 t90 -62.42 -59.05 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.023 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.806 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -42.85 -39.04 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.59 ' CB ' ' HE1' ' A' ' 13' ' ' MET . 0.0 OUTLIER -70.93 -61.82 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -52.14 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -56.77 -53.18 60.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.615 ' CE2' HD12 ' A' ' 44' ' ' LEU . 3.0 m-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.02 -39.46 81.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.466 ' CE ' ' HD3' ' A' ' 105' ' ' LYS . 65.3 mmm -87.71 -52.28 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.648 HD21 HG12 ' A' ' 28' ' ' ILE . 5.9 mt -40.29 -45.6 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -63.13 -48.04 80.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.552 ' CE2' ' CZ ' ' A' ' 40' ' ' PHE . 33.5 t90 -44.4 -68.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.0 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.514 HG23 HD12 ' A' ' 21' ' ' LEU . 1.5 mp -51.63 -59.89 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' LEU . 92.7 m-20 -43.81 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -38.53 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.472 ' CB ' ' CZ ' ' A' ' 40' ' ' PHE . 20.8 m -38.12 -45.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' A' ' 39' ' ' GLN . 47.1 mt -104.32 -133.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -144.54 40.38 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -94.58 -168.72 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -170.3 44.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 30' ' ' GLN . 20.8 mt -71.84 148.01 46.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.492 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 19.9 p -105.14 -15.81 14.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -132.42 163.91 27.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.77 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.4 mm -78.44 -33.7 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.35 -14.24 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.603 ' HB3' HD22 ' A' ' 25' ' ' LEU . 6.3 mm-40 -64.45 -12.21 41.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -93.02 32.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.554 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 17.1 p -91.42 37.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 p -126.75 -63.23 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.05 46.2 1.39 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.697 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -119.13 -51.87 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.84 -59.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -46.66 -51.53 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.783 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -49.81 -50.27 45.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.542 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -55.01 -56.27 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.552 ' CZ ' ' CE2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -49.88 -39.11 38.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.577 ' HB3' HD11 ' A' ' 49' ' ' ILE . 22.6 mmm -64.22 -62.16 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -46.34 -34.74 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -35.84 74.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.492 HD12 ' CE2' ' A' ' 108' ' ' PHE . 74.3 mt -85.79 -62.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' MET . 91.0 m-85 -106.91 109.27 63.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.87 29.52 20.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.4 p -100.98 -34.35 9.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.783 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -115.05 -166.6 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -128.43 60.5 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.67 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -45.94 -25.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.44 40.45 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.494 ' HB3' HD13 ' A' ' 70' ' ' ILE . 18.9 ttpt -158.61 -45.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.518 HG11 HD23 ' A' ' 51' ' ' LEU . 5.6 p -46.11 153.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.434 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 2.9 mmpt? -110.88 93.6 4.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.697 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 3.9 m-30 -74.55 -30.69 61.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -98.72 40.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -85.39 131.57 34.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' C ' HD13 ' A' ' 60' ' ' LEU . 4.4 mtmt -113.99 -30.67 6.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.36 158.66 22.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.589 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.0 mt-10 -70.68 -55.05 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 12.7 p80 -39.36 -39.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.556 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.5 mm-40 -57.82 -62.16 2.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.589 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 7.2 m-30 -38.3 -53.55 1.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.54 HD12 ' H ' ' A' ' 65' ' ' ILE . 2.3 mp -39.05 -63.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' ASN . 12.1 mt-30 -51.24 -54.2 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.3 m-20 -40.19 -47.0 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.514 ' CD2' HG13 ' A' ' 86' ' ' VAL . 35.8 m-85 -71.17 -45.15 64.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -43.31 -47.05 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.658 HG22 HG22 ' A' ' 49' ' ' ILE . 89.1 mt -64.31 -57.4 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.572 HD11 ' HZ ' ' A' ' 104' ' ' PHE . 1.7 tm? -45.99 -55.69 6.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -48.61 -41.69 31.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -60.7 -27.83 68.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -63.93 -28.82 73.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.476 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.4 m-30 -79.86 -48.7 13.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.76 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -18.59 56.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -81.12 -48.3 12.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mmt -76.34 -56.9 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.73 53.84 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.5 t -122.24 112.17 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 65.72 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.558 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 39.4 tptt -113.85 133.79 55.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.7 mm -87.49 110.26 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.53 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 23.2 mt -84.48 115.8 62.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -74.99 67.66 5.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.965 ' O ' HG22 ' A' ' 90' ' ' VAL . 46.9 t -64.94 -58.82 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.03 -28.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 91' ' ' LYS . 40.7 mtpt -95.2 -58.55 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 79.8 mt -45.88 -41.8 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.965 HG22 ' O ' ' A' ' 86' ' ' VAL . 29.5 m -71.12 -32.51 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 88' ' ' LYS . 11.9 mttt -72.04 -12.67 61.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.71 50.63 6.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -88.11 83.16 7.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.678 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -34.63 -55.28 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.405 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -55.15 -48.34 73.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.228 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -79.95 3.48 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -99.51 -41.65 7.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.668 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.4 t80 -84.91 -36.62 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -72.36 -4.22 28.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 8.9 t80 -107.31 -40.42 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.668 HG12 ' HA ' ' A' ' 98' ' ' PHE . 10.9 p -70.09 -43.41 79.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.2 pt20 -54.41 -23.21 14.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.558 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 47.7 t90 -87.14 -53.78 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 108.02 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -46.13 -38.01 7.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.525 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 2.5 ttpm? -66.94 -44.51 80.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -54.7 32.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.07 -19.51 44.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.492 ' CE2' HD12 ' A' ' 44' ' ' LEU . 3.9 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.36 -39.5 12.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.523 ' SD ' HG13 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -80.41 -33.51 36.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 mt -50.77 -45.71 59.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.12 79.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.457 ' CH2' ' CE2' ' A' ' 40' ' ' PHE . 30.5 t90 -45.84 -61.63 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 108.027 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.476 HG22 HD23 ' A' ' 23' ' ' LEU . 2.4 mp -61.89 -61.27 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' ILE . 62.6 m-20 -38.13 -44.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.94 60.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.6 m -159.18 -44.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.663 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -126.83 1.89 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER 72.72 72.16 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.665 HD22 ' N ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -110.82 -158.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -172.16 59.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 30' ' ' GLN . 68.9 mt -83.68 148.26 27.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -115.32 -18.69 10.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -131.8 167.25 19.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.9 ' O ' HD12 ' A' ' 31' ' ' LEU . 6.2 mm -81.2 -34.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.49 -11.93 38.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.779 ' HB3' HD22 ' A' ' 25' ' ' LEU . 4.4 mm-40 -62.02 -13.94 30.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.9 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -93.81 28.3 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.416 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 27.7 p -92.57 40.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -126.2 -64.33 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.93 48.77 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -123.62 -55.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.97 -60.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -45.32 -51.6 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.777 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.2 m -49.28 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 108.269 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.654 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -42.06 -46.02 4.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.458 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -58.26 -41.5 84.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.604 ' HB3' HD11 ' A' ' 49' ' ' ILE . 7.5 mmm -63.59 -63.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -29.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -75.29 -43.08 53.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 41' ' ' MET . 95.2 mt -77.49 -49.46 14.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 92.7 m-85 -123.57 109.28 30.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 124.28 8.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.6 33.41 22.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -108.67 -35.26 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.044 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.777 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -114.43 -167.59 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.463 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -129.57 65.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.724 HD23 HG11 ' A' ' 54' ' ' VAL . 1.9 mt -51.6 -22.02 3.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.59 38.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HB3' HD13 ' A' ' 70' ' ' ILE . 5.5 ttpt -159.13 -44.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.724 HG11 HD23 ' A' ' 51' ' ' LEU . 6.3 p -47.04 150.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 34.5 mmtt -104.78 102.53 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.614 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.2 m-85 -89.22 31.47 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -162.46 27.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -69.83 130.14 41.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.489 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -111.45 -30.95 7.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.832 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.89 165.35 18.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.697 ' O ' HD12 ' A' ' 65' ' ' ILE . 3.3 tt0 -81.25 -40.75 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.529 ' HA ' HD13 ' A' ' 65' ' ' ILE . 34.4 p80 -53.26 -30.65 39.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.595 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.591 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -68.75 -57.25 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 12.2 m-30 -37.53 -47.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 61' ' ' GLU . 2.1 mp -43.9 -68.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ASN . 4.5 mt-30 -47.87 -56.49 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.6 m-20 -39.51 -47.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 89' ' ' LEU . 20.3 m-85 -72.1 -47.38 51.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -42.56 -49.55 5.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 53' ' ' LYS . 88.9 mt -58.69 -58.08 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.556 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.5 tm? -47.76 -53.19 16.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.402 ' NE2' HG13 ' A' ' 84' ' ' ILE . 1.8 tp60 -50.33 -43.74 54.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -58.09 -28.15 64.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.83 -33.18 86.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.9 m-30 -75.21 -49.34 19.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -17.08 58.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -83.51 -54.72 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.406 ' CE ' ' CD1' ' A' ' 45' ' ' PHE . 97.2 mmm -68.94 -60.05 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 146.54 57.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.5 t -128.71 117.23 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -97.03 61.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.541 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 42.5 tptt -112.07 126.76 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.4 mm -82.28 109.91 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.556 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 18.5 mt -81.81 119.72 75.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.576 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -74.97 63.08 5.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.794 ' O ' HG22 ' A' ' 90' ' ' VAL . 40.2 t -61.57 -62.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' VAL . 1.6 t0 -39.84 -31.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 91' ' ' LYS . 27.1 mtpp -89.59 -59.84 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 68' ' ' PHE . 81.1 mt -43.92 -41.15 5.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 86' ' ' VAL . 24.5 m -71.23 -36.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 88' ' ' LYS . 42.6 mttt -70.48 -14.31 62.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.06 64.82 2.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 96' ' ' ASP . 5.6 mmpt? -103.85 82.77 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -37.73 -31.95 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' LYS . 66.3 tt0 -69.55 -50.96 39.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.227 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.495 ' OD2' ' CB ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -83.59 6.37 20.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.575 ' O ' HG12 ' A' ' 101' ' ' VAL . 1.0 OUTLIER -104.41 -41.72 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.491 ' CD2' HG13 ' A' ' 28' ' ' ILE . 2.5 t80 -80.9 -36.63 30.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -77.64 -10.74 59.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.335 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.808 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.8 t80 -95.91 -37.09 10.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 97' ' ' ASN . 6.5 p -76.09 -28.93 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.46 -28.42 68.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.541 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 57.5 t90 -84.62 -56.56 3.54 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.808 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -42.19 -45.71 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.57 -60.32 3.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -53.36 10.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -57.49 -51.73 68.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -61.53 -41.52 97.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' TRP . 55.2 mmm -78.32 -51.99 9.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.2 mt -42.93 -42.99 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.39 90.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 28.6 t90 -45.61 -69.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 107.994 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.13 -58.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -40.23 -45.41 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.54 60.19 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.5 m -159.05 -43.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.771 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -130.45 7.34 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 65.91 75.09 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.64 HD22 ' N ' ' A' ' 23' ' ' LEU . 1.2 mm? -109.68 -159.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -173.41 65.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -95.48 141.25 29.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.678 HG23 ' HG2' ' A' ' 27' ' ' LYS . 2.9 t -101.16 -27.08 13.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HG2' HG23 ' A' ' 26' ' ' THR . 11.1 mmtp -126.4 167.7 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.571 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.9 mm -76.54 -45.38 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.17 -24.24 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 28' ' ' ILE . 8.6 mm-40 -49.26 -22.35 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -91.59 32.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 25.5 p -92.73 21.22 5.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.326 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -110.0 -60.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.11 47.58 1.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -117.54 -55.83 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.78 -59.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -46.07 -52.94 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.811 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -52.3 -66.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.35 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.771 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.21 -47.66 9.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.403 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -57.38 -46.17 83.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.617 ' HB3' HD11 ' A' ' 49' ' ' ILE . 7.2 mmm -54.73 -60.74 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -44.45 -40.58 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -36.54 84.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' MET . 95.4 mt -82.33 -54.84 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -118.09 112.48 38.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.48 2.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.79 33.79 6.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -103.69 -35.8 8.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 0.733 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.811 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -115.4 -166.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.74 62.03 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.649 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -42.51 -28.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.14 44.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.62 ' HB3' HD13 ' A' ' 70' ' ' ILE . 7.3 ttpp -161.36 -45.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 56' ' ' PHE . 5.8 p -47.2 154.61 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 26.5 mmtt -110.51 100.56 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.649 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 5.8 m-30 -82.29 -35.12 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -91.57 28.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.629 ' HB2' ' HB3' ' A' ' 55' ' ' LYS . . . -74.61 126.48 30.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.415 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -112.62 -32.56 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.836 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -79.0 167.55 20.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.693 ' O ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -82.83 -42.5 17.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.445 ' HA ' HD13 ' A' ' 65' ' ' ILE . 34.8 p80 -51.6 -28.52 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.618 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.545 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -72.54 -55.49 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 11.8 m-30 -37.75 -47.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.693 HD12 ' O ' ' A' ' 61' ' ' GLU . 3.6 mp -48.49 -69.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -40.77 -56.06 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -40.5 -54.4 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.595 ' HB3' HG22 ' A' ' 86' ' ' VAL . 40.7 m-85 -64.89 -44.8 88.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.41 -44.84 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.63 HG22 HG22 ' A' ' 49' ' ' ILE . 98.9 mt -68.26 -57.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.4 tm? -42.58 -50.51 5.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.375 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -50.37 -43.79 54.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -58.33 -23.46 56.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.75 -25.01 76.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.63 ' CD2' HG11 ' A' ' 80' ' ' VAL . 6.3 m-30 -86.18 -46.32 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -33.77 70.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -69.03 -56.79 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.3 mmt -65.48 -70.24 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 148.5 48.04 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.63 HG11 ' CD2' ' A' ' 75' ' ' PHE . 24.9 t -101.81 113.94 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.26 68.2 10.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.562 ' CB ' ' CH2' ' A' ' 103' ' ' TRP . 23.5 tptt -134.43 120.95 20.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.8 mm -88.23 91.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.966 HG22 HG23 ' A' ' 86' ' ' VAL . 74.0 mt -55.22 142.25 58.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.01 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.966 HG23 HG22 ' A' ' 84' ' ' ILE . 62.7 t 64.29 -78.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.501 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -44.05 -27.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.8 mtpp -86.38 -41.85 14.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' VAL . 13.9 mt -67.75 -56.56 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.644 HG11 HG13 ' A' ' 65' ' ' ILE . 9.7 m -54.09 -23.3 9.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 12.4 mmmt -81.85 -23.76 36.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 65.99 77.87 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.575 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -109.52 -0.18 18.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.484 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 8.1 t80 60.95 -67.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.575 ' N ' ' O ' ' A' ' 93' ' ' LYS . 3.2 tp60 -52.71 -32.15 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.408 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -92.97 11.73 26.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.467 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -119.52 -40.73 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.459 ' HA ' HG12 ' A' ' 101' ' ' VAL . 4.7 t80 -74.71 -30.78 61.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -83.89 -13.51 53.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.736 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.2 t80 -97.36 -23.69 15.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.555 HG11 HD12 ' A' ' 28' ' ' ILE . 12.0 p -83.27 -53.92 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.549 ' N ' HG13 ' A' ' 101' ' ' VAL . 3.0 pt20 -51.46 -21.9 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.562 ' CH2' ' CB ' ' A' ' 82' ' ' LYS . 8.5 t90 -88.6 -33.92 17.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.005 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.736 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -70.58 -34.22 71.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.465 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 7.3 tmtt? -73.61 -49.68 24.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -52.12 55.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -59.67 -50.82 72.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 44' ' ' LEU . 1.8 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -53.77 -46.6 71.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.542 ' HE2' HG22 ' A' ' 101' ' ' VAL . 70.9 mmm -76.02 -54.36 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.1 mt -39.76 -45.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -64.54 -47.67 77.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' MET . 26.6 t90 -42.65 -66.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mp -57.86 -62.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -40.82 -78.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -39.99 -69.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' GLU . 74.8 m -36.39 -50.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.943 HD22 ' NE2' ' A' ' 39' ' ' GLN . 89.0 mt -100.09 -126.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.613 ' H ' HD22 ' A' ' 23' ' ' LEU . 40.9 mt-30 -150.13 48.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.613 HD22 ' H ' ' A' ' 22' ' ' GLN . 2.4 mm? -105.85 -164.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -167.63 37.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 30' ' ' GLN . 19.4 mt -51.26 147.84 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.433 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 69.1 p -115.1 -19.5 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -130.81 150.53 51.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.814 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.3 mm -68.36 -18.52 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.2 -7.47 55.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.509 ' HB3' HD22 ' A' ' 25' ' ' LEU . 13.6 mm-40 -68.7 -8.38 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.814 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.55 30.16 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.6 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 20.3 p -94.17 34.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 2.9 p -122.24 -64.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.02 44.32 1.52 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.145 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.512 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -120.32 -53.28 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.36 -53.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -53.55 -58.75 6.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.771 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -43.01 -54.69 4.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.321 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.943 ' NE2' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.07 -59.41 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -48.39 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.607 ' HB3' HD11 ' A' ' 49' ' ' ILE . 24.3 mmm -55.25 -61.63 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.07 -33.21 11.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -27.19 63.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.649 HD12 ' CE2' ' A' ' 108' ' ' PHE . 89.5 mt -95.93 -59.54 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' MET . 44.3 m-85 -115.19 109.85 46.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 119.8 5.78 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.85 -22.26 35.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.4 p -52.9 -38.26 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.771 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -115.52 -164.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -134.45 64.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.591 HD21 ' HZ ' ' A' ' 56' ' ' PHE . 1.6 mt -44.63 -27.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.24 42.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -161.44 -44.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.552 HG11 HD23 ' A' ' 51' ' ' LEU . 6.5 p -48.39 145.61 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 5.1 mmtt -103.01 94.52 5.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.591 ' HZ ' HD21 ' A' ' 51' ' ' LEU . 4.1 m-30 -74.56 -40.3 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -90.52 42.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.574 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -83.89 128.92 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.444 ' C ' HD13 ' A' ' 60' ' ' LEU . 6.2 mtmt -113.59 -31.8 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.817 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.76 156.57 24.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -68.35 -54.63 16.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 15.2 p80 -39.34 -39.24 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.574 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.4 mm-40 -60.34 -58.23 9.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 32' ' ' CYS . 11.9 m-30 -39.6 -45.87 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.686 HG13 HG11 ' A' ' 90' ' ' VAL . 1.4 mp -51.43 -70.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -42.84 -52.97 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.4 m-20 -42.42 -51.55 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.563 ' HB3' HG22 ' A' ' 86' ' ' VAL . 30.4 m-85 -67.47 -43.64 80.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -43.99 -45.93 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.6 HG22 HG22 ' A' ' 49' ' ' ILE . 93.2 mt -65.13 -56.55 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -47.39 -51.62 19.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.661 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -46.5 -38.09 8.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -67.18 -35.5 79.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -52.29 -21.81 9.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.425 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 8.1 m-30 -90.14 -63.05 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -49.44 -27.66 4.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 67.2 mtt180 -74.63 -52.43 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.7 mmt -68.01 -67.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 153.71 44.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.782 HG22 ' CZ ' ' A' ' 107' ' ' PHE . 55.4 t -113.1 121.32 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -94.71 62.62 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.562 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 45.6 tptt -116.31 134.9 54.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.5 mm -100.25 102.28 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.958 HG22 HG23 ' A' ' 86' ' ' VAL . 59.8 mt -71.83 142.64 85.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.736 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -74.98 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.958 HG23 HG22 ' A' ' 84' ' ' ILE . 66.1 t 66.28 -79.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.513 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -35.18 -41.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -53.17 10.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' VAL . 34.2 mt -55.29 -58.78 6.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.686 HG11 HG13 ' A' ' 65' ' ' ILE . 19.4 m -50.8 -31.97 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -73.93 -32.9 63.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 99.35 44.2 2.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 97' ' ' ASN . 37.1 mttt -85.79 82.06 8.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -36.43 -56.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.574 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -53.24 -48.07 68.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.14 4.08 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.507 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -103.98 -32.35 9.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.235 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.484 ' HB2' HG21 ' A' ' 28' ' ' ILE . 2.7 t80 -88.28 -34.69 17.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.13 -5.81 50.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.789 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 10.2 t80 -101.31 -36.16 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 102' ' ' GLN . 14.6 p -71.87 -54.47 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.553 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.5 OUTLIER -41.65 -44.24 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.277 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 49.4 t90 -66.26 -52.08 51.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.027 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.789 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -50.27 -57.84 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -42.92 -53.62 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.99 -65.19 0.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.782 ' CZ ' HG22 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -41.02 -34.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.649 ' CE2' HD12 ' A' ' 44' ' ' LEU . 9.5 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.36 -53.67 55.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' TRP . 79.4 mmm -66.16 -54.22 28.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.511 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.9 mt -41.92 -44.94 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.53 -48.73 76.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.514 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 33.9 t90 -46.48 -65.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.59 HG22 HD23 ' A' ' 23' ' ' LEU . 2.1 mp -57.47 -59.39 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' ILE . 55.2 m-20 -39.58 -49.03 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.15 60.61 2.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.5 m -162.06 -43.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.89 HD22 ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -126.27 5.56 7.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 65.3 70.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 21' ' ' LEU . 1.1 mm? -105.46 -156.33 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -177.16 64.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 30' ' ' GLN . 14.4 mt -98.71 150.2 22.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.5 p -109.05 -14.62 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -140.11 172.78 12.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.644 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.8 mm -79.77 -44.04 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.491 ' HG3' ' CA ' ' A' ' 94' ' ' PHE . 2.8 mt-10 -49.25 -22.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.521 ' HB3' HD22 ' A' ' 25' ' ' LEU . 4.0 mm-40 -53.85 -19.33 4.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.644 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -91.88 33.79 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.52 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 23.0 p -92.27 27.54 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.431 ' O ' ' CE2' ' A' ' 68' ' ' PHE . 6.8 p -115.17 -60.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.48 46.88 1.61 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -117.33 -53.59 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.25 -61.73 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -43.91 -53.23 6.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.75 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -50.77 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.89 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -42.32 -41.33 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.456 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -63.22 -39.97 96.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.549 ' HB3' HD11 ' A' ' 49' ' ' ILE . 31.1 mmm -64.93 -63.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -40.36 -42.3 1.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.76 -44.12 97.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.559 ' CD1' ' CE2' ' A' ' 108' ' ' PHE . 89.1 mt -75.74 -59.08 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 78' ' ' MET . 96.6 m-85 -112.25 107.97 55.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 124.15 8.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.43 34.93 30.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -110.27 -34.09 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.75 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -109.26 -168.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.666 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -124.75 55.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.652 HD21 ' HZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -44.03 -27.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -89.98 39.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.562 ' HB3' HD13 ' A' ' 70' ' ' ILE . 9.0 ttpt -157.13 -45.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.525 HG11 HD23 ' A' ' 51' ' ' LEU . 7.5 p -47.75 150.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.439 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 7.8 mmtt -106.69 99.46 9.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.652 ' HZ ' HD21 ' A' ' 51' ' ' LEU . 4.8 m-30 -80.47 -31.12 37.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -104.17 48.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -85.84 133.97 33.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -117.16 -4.61 11.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.743 HD12 ' NE2' ' A' ' 62' ' ' HIS . 7.2 mt -116.59 160.92 19.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.475 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.6 mt-10 -73.13 -54.51 8.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.743 ' NE2' HD12 ' A' ' 60' ' ' LEU . 11.8 p80 -39.47 -36.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.57 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.502 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 3.0 mm-40 -65.04 -61.76 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.52 ' CD2' ' O ' ' A' ' 32' ' ' CYS . 13.0 m-30 -35.69 -55.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.701 HG13 HG11 ' A' ' 90' ' ' VAL . 1.3 mp -39.61 -65.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -42.91 -54.5 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -41.2 -54.19 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.573 ' HB3' HG22 ' A' ' 86' ' ' VAL . 73.4 m-85 -64.58 -44.06 91.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -44.4 -41.41 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.602 HG22 HG22 ' A' ' 49' ' ' ILE . 64.0 mt -71.28 -54.92 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.567 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -48.83 -50.57 33.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.479 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -48.0 -37.4 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -68.18 -32.0 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.464 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -54.19 -30.4 47.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -81.95 -43.71 17.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -5.93 43.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -88.02 -44.07 11.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 45' ' ' PHE . 10.6 mmt -88.98 -69.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.35 66.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.981 HG13 ' CZ ' ' A' ' 107' ' ' PHE . 92.0 t -132.4 109.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.54 69.75 10.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 45.7 tptt -122.08 134.27 54.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.7 mm -100.24 106.13 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.968 HG22 HG23 ' A' ' 86' ' ' VAL . 29.0 mt -77.1 142.72 68.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.742 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.97 -60.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.968 HG23 HG22 ' A' ' 84' ' ' ILE . 61.9 t 66.66 -79.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 5.8 t0 -40.97 -29.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' A' ' 86' ' ' VAL . 8.1 mtpp -85.18 -46.19 11.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' VAL . 14.1 mt -65.28 -56.35 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.701 HG11 HG13 ' A' ' 65' ' ' ILE . 8.3 m -51.27 -34.04 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 16.2 mmmt -73.71 -26.21 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 96.35 44.01 3.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 97' ' ' ASN . 7.2 mmtm -82.93 69.88 9.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.03 -47.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.497 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 42.8 tt0 -57.11 -57.91 10.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -3.96 27.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -91.84 -43.44 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.44 ' HA ' HG12 ' A' ' 101' ' ' VAL . 3.2 t80 -73.63 -33.51 64.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -81.17 -8.72 59.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.775 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.6 t80 -98.3 -32.63 11.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 98' ' ' PHE . 7.6 p -79.14 -35.46 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 2.2 pt20 -60.32 -29.36 68.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 35.6 t90 -82.0 -48.98 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.775 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -49.71 -60.3 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 32.1 tttp -40.82 -58.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.73 -59.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.981 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 1.6 t80 -45.05 -32.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.559 ' CE2' ' CD1' ' A' ' 44' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.5 m80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.04 -41.69 92.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TRP . 47.1 mmm -83.48 -51.82 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 28' ' ' ILE . 6.8 mt -41.53 -43.86 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.42 -47.78 78.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.627 ' CZ2' ' CE2' ' A' ' 40' ' ' PHE . 30.7 t90 -45.28 -72.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 107.967 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.605 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.2 mp -50.22 -56.87 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -42.37 -47.05 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.44 56.53 1.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.428 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 57.8 m -153.8 -44.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -127.71 4.33 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER 70.12 69.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.724 HD22 ' N ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -103.85 -156.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -177.42 58.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 30' ' ' GLN . 24.2 mt -87.88 148.35 24.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.3 p -107.17 -16.2 14.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -138.08 173.72 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.788 ' O ' HD12 ' A' ' 31' ' ' LEU . 5.3 mm -81.44 -41.82 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.64 -20.37 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.715 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.4 mm-40 -52.73 -19.96 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -91.34 34.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.3 p -92.8 22.26 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 108.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 p -107.25 -55.76 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.93 45.46 2.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.48 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -122.13 -51.1 2.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.96 -54.2 2.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -51.13 -51.21 55.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.718 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -51.1 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.297 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.633 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -43.24 -43.34 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.627 ' CE2' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -62.3 -36.21 81.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.58 ' HB3' HD11 ' A' ' 49' ' ' ILE . 20.1 mmm -70.29 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.89 -35.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -69.03 -45.09 71.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 41' ' ' MET . 80.0 mt -75.66 -53.07 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.52 ' CD1' ' HE2' ' A' ' 78' ' ' MET . 40.8 m-85 -126.72 107.94 22.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.1 16.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.87 -22.75 29.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.8 p -56.68 -35.78 68.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.718 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -112.56 -161.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.509 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -137.98 60.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.619 HD21 ' HZ ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -40.12 -29.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -88.92 43.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 70' ' ' ILE . 6.0 ttmt -159.07 -45.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 56' ' ' PHE . 7.6 p -50.45 153.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -113.13 94.7 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.619 ' HZ ' HD21 ' A' ' 51' ' ' LEU . 6.1 m-30 -73.39 -38.44 65.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -89.51 39.29 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -83.61 127.96 34.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' C ' HD13 ' A' ' 60' ' ' LEU . 2.4 ttpt -115.19 -33.36 5.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.824 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.16 158.55 26.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.6 mt-10 -69.44 -56.23 8.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 11.2 p80 -38.42 -37.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.45 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 2.1 mm-40 -63.01 -61.19 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.627 ' HB3' HG12 ' A' ' 90' ' ' VAL . 12.9 m-30 -35.94 -49.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.62 HG13 HG11 ' A' ' 90' ' ' VAL . 1.3 mp -48.92 -65.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' ASN . 9.0 mt-30 -45.7 -54.65 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.4 m-20 -39.79 -52.01 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.549 ' HB3' HG22 ' A' ' 86' ' ' VAL . 34.7 m-85 -66.95 -48.11 69.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -40.81 -41.28 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 53' ' ' LYS . 88.1 mt -71.24 -57.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.487 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.5 tm? -44.58 -50.68 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -46.01 -43.24 14.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.723 ' HB1' ' NH1' ' A' ' 77' ' ' ARG . . . -56.6 -34.63 67.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.443 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -52.57 -33.29 40.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -78.16 -50.4 12.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 2.2 ptpt -76.58 56.59 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.723 ' NH1' ' HB1' ' A' ' 73' ' ' ALA . 26.0 mtt85 -162.3 -43.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.52 ' HE2' ' CD1' ' A' ' 45' ' ' PHE . 70.2 mmm -90.04 -55.36 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 152.3 65.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.478 HG22 ' CE1' ' A' ' 107' ' ' PHE . 46.5 t -141.12 117.52 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.33 65.84 0.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.579 ' HB2' ' CH2' ' A' ' 103' ' ' TRP . 45.5 tptt -113.92 138.22 50.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mt -100.5 97.7 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.961 HG22 HG23 ' A' ' 86' ' ' VAL . 54.3 mt -68.48 137.33 90.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.235 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.5 Cg_endo -74.97 -55.03 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.961 HG23 HG22 ' A' ' 84' ' ' ILE . 60.1 t 63.6 -78.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' PRO . 66.1 t0 -39.06 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 86' ' ' VAL . 13.0 mtpp -85.31 -50.44 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 86' ' ' VAL . 19.9 mt -58.48 -48.11 81.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.627 HG12 ' HB3' ' A' ' 64' ' ' TYR . 17.5 m -61.92 -25.38 37.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 2.3 mtpm? -83.94 -14.19 51.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.71 62.25 2.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -101.11 78.12 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 93' ' ' LYS . 29.1 t80 -33.62 -40.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.43 -56.5 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -81.27 1.82 30.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -97.42 -29.97 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' HA ' HG12 ' A' ' 101' ' ' VAL . 4.2 t80 -94.1 -30.83 14.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -83.55 -7.12 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.3 t80 -102.56 -25.32 13.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.49 HG11 HD12 ' A' ' 28' ' ' ILE . 12.8 p -84.61 -39.64 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.7 pt20 -59.54 -25.69 64.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 82' ' ' LYS . 23.9 t90 -84.7 -46.31 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -53.7 -48.44 69.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.527 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 12.4 tttm -58.88 -59.24 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -61.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.478 ' CE1' HG22 ' A' ' 80' ' ' VAL . 4.4 t80 -49.75 -57.32 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 4' ' ' GLY . 10.1 m 62.88 164.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.76 . . . . 0.0 110.024 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 m 66.96 -71.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 109.0 -153.14 16.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t 179.9 114.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.49 -62.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.97 -150.01 24.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 44.65 88.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.92 179.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 0.1 OUTLIER 70.0 -72.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.7 -17.43 15.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.569 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -55.79 -51.3 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' TRP . 82.0 mmm -70.54 -52.05 24.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.6 mt -41.02 -49.23 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -45.71 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' MET . 16.9 t90 -45.47 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.491 HG22 HD23 ' A' ' 23' ' ' LEU . 2.1 mp -53.04 -58.46 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' ILE . 45.2 m-20 -40.07 -44.85 1.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.83 55.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.47 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.2 m -151.66 -44.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.968 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -129.48 5.9 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.5 69.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.63 HD22 ' N ' ' A' ' 23' ' ' LEU . 1.1 mm? -106.65 -156.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -173.24 45.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 30' ' ' GLN . 56.8 mt -72.06 139.96 48.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.706 HG23 ' HG3' ' A' ' 27' ' ' LYS . 1.1 t -102.05 -28.23 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.706 ' HG3' HG23 ' A' ' 26' ' ' THR . 6.7 mttt -128.78 167.67 16.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.742 HD12 HG11 ' A' ' 101' ' ' VAL . 4.2 mm -76.26 -43.28 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.57 -25.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.624 ' HB3' HD22 ' A' ' 25' ' ' LEU . 10.4 mm-40 -51.11 -21.68 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -92.75 33.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.5 p -93.43 29.08 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.294 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 p -119.36 -61.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.77 49.19 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.65 -53.71 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.4 -58.75 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -47.57 -58.49 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.748 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.2 m -43.26 -64.78 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.62 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -46.52 -50.75 16.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.5 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -52.65 -45.42 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.573 ' HB3' HD11 ' A' ' 49' ' ' ILE . 8.4 mmm -58.51 -61.22 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.03 -41.26 3.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -39.92 95.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' MET . 89.4 mt -79.94 -62.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CD1' ' HE2' ' A' ' 78' ' ' MET . 83.1 m-85 -112.4 107.73 55.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.85 4.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.8 27.59 11.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.0 p -103.82 -33.57 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.748 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -117.51 -176.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -120.35 64.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.642 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -47.2 -25.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.51 41.88 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.629 ' HB3' HD13 ' A' ' 70' ' ' ILE . 14.6 ttpt -159.35 -44.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.557 HG11 HD23 ' A' ' 51' ' ' LEU . 6.9 p -47.55 149.15 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -99.6 102.1 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.642 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.5 m-30 -89.99 28.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -160.26 26.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -69.26 129.21 39.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -111.21 -29.05 8.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.717 HD12 ' NE2' ' A' ' 62' ' ' HIS . 4.7 mt -89.07 162.11 16.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.577 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -72.91 -57.4 4.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.717 ' NE2' HD12 ' A' ' 60' ' ' LEU . 9.4 p80 -37.72 -37.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.555 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.524 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -63.12 -57.73 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.712 ' HB3' HG12 ' A' ' 90' ' ' VAL . 14.2 m-30 -36.26 -56.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.467 HG13 HG11 ' A' ' 90' ' ' VAL . 1.3 mp -41.25 -62.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -44.65 -58.07 3.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -40.7 -51.35 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.713 ' HB3' HG22 ' A' ' 86' ' ' VAL . 58.7 m-85 -66.5 -44.17 83.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.75 -45.01 6.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.629 HD13 ' HB3' ' A' ' 53' ' ' LYS . 97.3 mt -67.05 -57.08 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.573 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.7 tm? -47.07 -49.58 21.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.54 -38.0 42.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -63.34 -25.07 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -67.19 -17.5 68.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 4.9 m-30 -94.81 -51.89 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -14.79 48.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -84.15 -53.68 5.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.483 ' HE2' ' CD1' ' A' ' 45' ' ' PHE . 48.5 mmm -73.18 -62.56 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.91 57.32 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.442 HG12 ' HB3' ' A' ' 82' ' ' LYS . 62.9 t -108.64 111.41 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -73.88 65.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 38.9 tptt -145.0 121.84 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.3 mm -101.31 86.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.708 HG23 ' HD2' ' A' ' 85' ' ' PRO . 42.4 mt -42.15 142.09 1.26 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.708 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.98 -50.46 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.713 HG22 ' HB3' ' A' ' 68' ' ' PHE . 95.7 t 66.61 -68.59 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -49.11 -23.63 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -94.84 -29.4 14.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 86' ' ' VAL . 28.4 mt -79.68 -19.82 48.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.712 HG12 ' HB3' ' A' ' 64' ' ' TYR . 24.1 m -100.69 13.5 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.42 -22.72 20.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 50.01 52.6 25.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.22 11.55 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' ASP . 22.9 t80 63.08 -179.18 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 94' ' ' PHE . 36.7 tt0 67.01 -64.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 94' ' ' PHE . 47.8 m-20 -57.51 -18.08 17.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.616 ' HB3' HG22 ' A' ' 28' ' ' ILE . 5.9 m-80 -95.17 -40.15 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.627 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.0 t80 -71.52 -43.86 65.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -70.11 -5.8 29.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.794 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 8.7 t80 -106.89 -47.1 3.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.742 HG11 HD12 ' A' ' 28' ' ' ILE . 7.5 p -60.52 -44.75 97.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 1.4 pp0? -50.15 -46.02 53.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.574 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 76.8 t90 -63.84 -64.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.794 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -37.29 -48.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -58.86 -60.64 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.87 -58.36 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -55.96 -58.44 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -37.58 -47.11 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.67 -51.99 67.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.237 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.7 t -127.94 88.87 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 109.988 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -105.49 -113.7 3.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.88 43.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 m -60.57 121.24 11.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.977 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.9 m 62.16 151.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t 57.4 84.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.981 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 p -153.72 -57.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.65 -149.09 18.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -102.52 155.41 18.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 110.015 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -46.41 154.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.26 -158.7 8.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.554 1.159 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -131.74 97.88 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.57 170.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER 71.0 -69.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.33 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -60.02 -15.38 22.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -59.78 -54.89 40.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.525 ' HE2' HG22 ' A' ' 101' ' ' VAL . 75.3 mmm -65.63 -54.36 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD21 HG12 ' A' ' 28' ' ' ILE . 4.4 mt -39.99 -46.51 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -63.74 -48.22 77.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 30.3 t90 -43.08 -68.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 108.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.1 -60.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' LEU . 71.7 m-20 -42.6 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -38.89 -67.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLU . 61.6 m -39.28 -38.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.53 HD22 ' NE2' ' A' ' 39' ' ' GLN . 43.0 mt -114.11 -131.0 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -145.68 41.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -93.53 -168.61 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.403 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 57.9 t-20 -171.21 43.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.808 HD22 ' HB3' ' A' ' 30' ' ' GLN . 34.6 mt -66.57 153.02 44.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.42 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 29.1 p -117.41 -14.12 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -132.23 142.62 49.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.731 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.7 mm -65.51 -14.56 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -79.95 -8.1 59.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.808 ' HB3' HD22 ' A' ' 25' ' ' LEU . 4.6 mm-40 -70.19 -13.22 62.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -92.29 29.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 31.4 p -91.92 16.06 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 p -104.36 -57.04 2.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.64 48.53 1.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.418 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -117.14 -54.13 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.47 -65.03 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -40.56 -56.41 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.71 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.1 m -45.65 -59.35 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.53 ' NE2' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -47.63 -62.29 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.18 -53.61 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.56 ' HB3' HD11 ' A' ' 49' ' ' ILE . 18.2 mmm -48.27 -64.33 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.87 -41.81 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.358 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -62.9 -42.23 99.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' MET . 86.8 mt -77.5 -58.42 3.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -110.67 110.56 57.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 111.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.21 42.34 5.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.1 p -113.88 -33.78 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.71 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -114.47 -174.21 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.475 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -122.14 60.67 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.656 HD23 HG11 ' A' ' 54' ' ' VAL . 1.2 mt -47.01 -24.71 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.464 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.71 39.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.495 ' HB3' HD13 ' A' ' 70' ' ' ILE . 6.4 ttpp -157.98 -45.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.656 HG11 HD23 ' A' ' 51' ' ' LEU . 4.3 p -46.02 156.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -105.96 97.92 7.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.639 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.6 m-85 -88.48 21.68 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -155.8 34.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.17 135.37 38.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' C ' HD23 ' A' ' 60' ' ' LEU . 1.4 mtpt -117.07 -7.94 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.69 HD12 ' NE2' ' A' ' 62' ' ' HIS . 5.9 mt -110.49 161.88 15.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -77.01 -55.86 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.69 ' NE2' HD12 ' A' ' 60' ' ' LEU . 10.7 p80 -38.06 -32.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.452 ' OE2' ' CE1' ' A' ' 62' ' ' HIS . 2.5 mm-40 -70.46 -58.58 3.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 13.1 m-30 -34.21 -48.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.599 HG13 HG11 ' A' ' 90' ' ' VAL . 1.9 mp -45.73 -66.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 67' ' ' ASN . 8.5 mt-30 -43.09 -56.81 3.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' GLN . 1.3 m-20 -39.01 -55.11 1.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.623 ' CD2' HG13 ' A' ' 86' ' ' VAL . 36.1 m-85 -63.44 -46.45 86.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -41.47 -46.54 3.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 96.1 mt -64.61 -57.22 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.557 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -49.16 -52.41 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.539 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -48.74 -33.66 10.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -70.68 -32.47 69.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -57.4 -25.26 54.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.511 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.6 m-30 -85.13 -53.83 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -20.1 7.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -76.98 -59.76 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.45 -54.03 34.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.78 55.3 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 82' ' ' LYS . 75.7 t -121.7 103.03 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -84.1 67.01 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 36.4 tptt -120.37 122.87 41.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 83' ' ' ILE . 4.5 mp -79.31 114.3 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.557 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 14.6 mt -84.73 121.85 74.65 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -74.96 66.35 5.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.927 ' O ' HG22 ' A' ' 90' ' ' VAL . 34.6 t -63.94 -64.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' VAL . 27.4 t70 -38.58 -31.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 91' ' ' LYS . 33.3 mtpt -89.78 -59.71 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.477 HD13 ' CE1' ' A' ' 68' ' ' PHE . 76.2 mt -44.96 -45.98 10.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 86' ' ' VAL . 32.7 m -62.25 -35.43 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 88' ' ' LYS . 14.5 mtmt -75.93 -16.99 59.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 63.52 75.79 0.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 95' ' ' GLN . 9.7 mmmt -92.15 12.64 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ASN . 45.3 t80 56.15 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -44.54 -63.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -23.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.489 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -84.54 -38.73 19.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.539 ' HA ' HG12 ' A' ' 101' ' ' VAL . 3.1 t80 -77.58 -32.71 53.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -80.92 -11.41 59.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.809 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.9 t80 -99.48 -32.9 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' A' ' 98' ' ' PHE . 11.3 p -75.06 -41.23 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 2.3 pt20 -58.47 -26.07 62.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.568 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 38.6 t90 -84.11 -48.21 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.809 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -54.33 -27.73 37.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.52 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 3.3 tmtt? -82.87 -55.27 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -48.04 -54.64 12.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -56.98 -50.6 72.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 104' ' ' PHE . 1.8 m-85 -47.69 -54.66 11.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -45.15 -58.75 3.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.16 -56.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.43 97.92 0.06 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.43 20.42 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.01 -58.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.1 p 46.76 79.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -139.37 128.29 23.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.025 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p -68.66 168.34 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.4 168.65 24.34 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 p -172.43 167.75 5.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 p -143.59 -53.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.98 -174.63 4.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.123 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -145.26 101.78 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER 60.35 168.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.347 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.498 ' NH2' ' CE1' ' A' ' 11' ' ' HIS . 7.1 mtm105 67.13 -74.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.115 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.498 ' CE1' ' NH2' ' A' ' 10' ' ' ARG . 32.2 m80 -49.86 -21.57 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 109.629 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 10' ' ' ARG . 15.5 t0 -57.18 -40.09 76.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.723 ' HE2' HG22 ' A' ' 101' ' ' VAL . 41.4 mmm -81.47 -53.27 6.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.2 mt -42.0 -42.11 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.29 -47.11 83.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 29.1 t90 -46.35 -63.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.52 HG22 HD23 ' A' ' 23' ' ' LEU . 2.3 mp -60.06 -60.8 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' ILE . 39.4 m-20 -38.4 -46.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.41 58.64 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.45 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 59.8 m -156.45 -44.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.733 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -126.35 1.93 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 74.58 60.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -99.19 -156.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -176.13 55.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.714 HD22 ' HB3' ' A' ' 30' ' ' GLN . 20.7 mt -75.57 146.89 40.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.6 p -113.73 -20.9 10.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -137.79 149.51 46.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.797 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.8 mm -63.09 -16.35 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.92 -3.93 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.714 ' HB3' HD22 ' A' ' 25' ' ' LEU . 8.6 mm-40 -73.18 -8.09 54.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -100.57 24.34 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.4 p -80.05 -14.34 58.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 108.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -79.17 -53.9 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.75 44.66 4.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.563 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -112.4 -49.26 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.35 -49.93 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -55.27 -50.86 68.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.767 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.2 m -49.87 -62.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.348 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.571 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -48.56 -52.63 21.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.474 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -51.92 -44.11 63.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.609 ' HB3' HD11 ' A' ' 49' ' ' ILE . 6.6 mmm -58.77 -62.17 2.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.11 -42.53 4.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.01 -39.33 91.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' MET . 98.3 mt -79.83 -58.79 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.441 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 78.1 m-85 -116.26 108.0 46.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 111.08 3.24 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.76 24.96 8.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.409 ' C ' HD13 ' A' ' 49' ' ' ILE . 82.0 p -100.54 -34.8 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.048 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.767 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -117.11 -178.14 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -117.3 60.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.643 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -40.66 -29.46 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -89.19 44.85 1.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.534 ' HB3' HD13 ' A' ' 70' ' ' ILE . 5.2 ttmt -161.03 -43.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.586 HG11 ' CE1' ' A' ' 56' ' ' PHE . 11.0 p -49.59 150.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 13.7 mmtt -108.5 90.23 3.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.643 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 6.5 m-30 -70.05 -34.31 73.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -95.43 43.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -89.49 129.15 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' C ' HD13 ' A' ' 60' ' ' LEU . 2.9 ttpt -113.55 -32.07 6.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.835 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.83 157.56 25.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -69.52 -53.69 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 17.1 p80 -39.66 -37.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.609 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.625 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.0 OUTLIER -63.79 -57.65 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.515 ' HB3' HG12 ' A' ' 90' ' ' VAL . 9.1 m-30 -39.6 -42.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.485 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 1.9 mp -52.96 -68.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' ASN . 5.2 mt-30 -45.17 -53.39 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.352 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.9 m-20 -39.21 -50.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.548 ' CD2' HG13 ' A' ' 86' ' ' VAL . 22.7 m-85 -69.55 -49.12 57.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -40.59 -43.41 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.534 HD13 ' HB3' ' A' ' 53' ' ' LYS . 94.0 mt -67.64 -56.21 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.542 HD11 ' HZ ' ' A' ' 104' ' ' PHE . 1.6 tm? -48.4 -50.74 29.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -48.55 -37.36 17.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -62.54 -30.68 71.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -62.5 -22.59 63.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.482 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.2 m-30 -89.5 -51.9 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -14.86 53.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -83.75 -51.08 7.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.441 ' CE ' ' CD1' ' A' ' 45' ' ' PHE . 74.4 mmm -76.47 -52.94 8.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.67 62.35 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.0 t -130.75 97.43 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.75 66.49 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.572 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 41.7 tptt -114.43 134.91 54.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.5 mm -90.24 112.03 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 29.7 mt -86.89 118.37 69.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -74.97 65.19 6.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.758 ' O ' HG22 ' A' ' 90' ' ' VAL . 45.6 t -60.91 -67.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 86' ' ' VAL . 19.1 t0 -35.75 -36.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.3 mtpp -84.44 -60.93 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.546 HD13 ' CE1' ' A' ' 68' ' ' PHE . 77.1 mt -43.54 -50.58 7.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 86' ' ' VAL . 30.0 m -58.77 -36.9 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' LYS . 3.8 mmtt -69.45 -21.66 63.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.79 79.23 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -97.85 -3.0 39.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 t80 67.88 -62.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' LYS . 6.0 tt0 -61.69 -48.93 78.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.85 -11.83 49.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.478 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -93.61 -36.17 12.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.489 ' HB2' HG21 ' A' ' 28' ' ' ILE . 2.1 t80 -77.15 -43.09 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -72.1 -13.6 61.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.803 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 19.0 t80 -92.88 -46.73 7.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.723 HG22 ' HE2' ' A' ' 13' ' ' MET . 11.5 p -63.56 -53.43 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.521 ' N ' HG13 ' A' ' 101' ' ' VAL . 7.2 pt20 -44.16 -26.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 46.1 t90 -83.22 -50.65 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 108.0 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.803 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -50.71 -43.21 57.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.535 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 5.5 tttm -62.92 -57.17 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -46.29 -58.49 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -52.27 -55.57 20.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -43.31 -55.81 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.59 -54.76 43.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.12 119.22 3.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -161.55 -73.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.32 3.63 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.5 p -156.13 151.93 27.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.0 m -119.2 154.72 32.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.7 138.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 0.781 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -76.72 107.25 8.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.8 124.22 20.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -147.81 156.68 42.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m -99.19 159.92 14.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.02 -87.46 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.128 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 75.64 -56.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 90.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -159.48 -59.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -59.17 -15.78 16.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.65 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.93 -37.76 85.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.518 ' HE2' HG22 ' A' ' 101' ' ' VAL . 45.7 mmm -87.11 -45.61 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.649 HD21 HG12 ' A' ' 28' ' ' ILE . 5.1 mt -51.11 -43.89 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.57 98.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.457 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 20.6 t90 -47.53 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.56 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.6 mp -50.75 -56.22 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -42.06 -46.75 4.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.06 56.02 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -153.23 -44.15 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -130.14 8.28 5.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 66.68 68.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.619 HD22 ' N ' ' A' ' 23' ' ' LEU . 1.2 mm? -102.99 -157.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -177.28 65.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.726 HD22 ' HB3' ' A' ' 30' ' ' GLN . 24.9 mt -96.01 148.94 22.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -115.18 -16.14 11.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -134.96 143.88 47.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.786 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.8 mm -64.33 -17.05 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.61 1.52 25.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.726 ' HB3' HD22 ' A' ' 25' ' ' LEU . 9.8 mm-40 -80.47 -4.02 52.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -101.46 32.26 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.56 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 13.8 p -93.67 32.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -117.4 -64.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.85 43.41 1.54 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.0 -52.36 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.736 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.09 -58.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.4 ' CE1' ' HE1' ' A' ' 100' ' ' PHE . 45.1 m-85 -48.82 -60.52 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.659 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.5 m -42.04 -65.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.617 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -43.59 -44.55 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -46.12 88.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.589 ' HB3' HD11 ' A' ' 49' ' ' ILE . 18.1 mmm -58.27 -62.71 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' MET . 2.3 t70 -39.53 -39.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtp -68.38 -46.76 69.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' MET . 52.8 mt -77.18 -65.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' MET . 74.7 m-85 -100.58 108.01 51.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 134.02 17.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.87 39.92 96.89 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.2 p -112.66 -30.88 6.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 0.776 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.659 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -113.91 -166.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.495 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -129.58 56.22 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.679 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -40.69 -29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -89.11 42.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.568 ' HB3' HD13 ' A' ' 70' ' ' ILE . 7.0 ttmt -158.27 -46.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.495 ' CG1' ' CE1' ' A' ' 56' ' ' PHE . 5.6 p -46.39 158.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.47 104.39 13.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 4.5 m-30 -91.64 27.51 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -156.93 24.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.704 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -64.55 123.92 20.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.601 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -111.97 -8.2 14.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.743 HD12 ' NE2' ' A' ' 62' ' ' HIS . 8.0 mt -113.55 162.95 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.56 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.5 tt0 -70.28 -56.11 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.743 ' NE2' HD12 ' A' ' 60' ' ' LEU . 10.4 p80 -39.67 -37.0 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.704 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.8 mm-40 -63.14 -59.76 4.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.624 ' HB3' HG12 ' A' ' 90' ' ' VAL . 12.9 m-30 -37.74 -48.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.623 HG13 HG11 ' A' ' 90' ' ' VAL . 1.2 mp -46.8 -66.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -44.64 -54.5 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.91 -49.1 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.669 ' HB3' HG22 ' A' ' 86' ' ' VAL . 28.2 m-85 -70.1 -45.36 67.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.67 -44.86 6.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.568 HD13 ' HB3' ' A' ' 53' ' ' LYS . 98.0 mt -65.49 -55.13 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 0.9 OUTLIER -45.68 -58.47 3.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.506 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -38.32 -56.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.24 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -38.63 -45.5 1.99 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.2 m-30 -65.18 -55.54 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.52 58.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -159.67 -44.33 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.9 mmm -92.67 -61.87 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 163.21 66.07 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.681 HG13 ' CZ ' ' A' ' 107' ' ' PHE . 6.4 t -140.99 116.27 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.8 68.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 44.5 tptt -122.15 134.54 54.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.1 mm -97.1 103.79 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.0 HG22 HG23 ' A' ' 86' ' ' VAL . 37.9 mt -69.81 143.03 91.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.743 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.99 -58.18 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 1.0 HG23 HG22 ' A' ' 84' ' ' ILE . 67.7 t 64.52 -76.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' PRO . 57.1 t0 -45.69 -25.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 86' ' ' VAL . 4.8 mtpp -89.72 -38.27 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.51 HD13 ' CE1' ' A' ' 68' ' ' PHE . 15.0 mt -69.13 -52.69 25.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.624 HG12 ' HB3' ' A' ' 64' ' ' TYR . 19.4 m -59.13 -16.41 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -91.31 -10.41 41.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 46.75 75.74 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.2 OUTLIER -102.92 7.55 39.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.472 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 61.8 t80 63.61 -65.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 93' ' ' LYS . 6.7 tm0? -51.03 -61.33 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.57 -10.8 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.464 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -88.7 -30.94 18.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.504 ' HA ' HG12 ' A' ' 101' ' ' VAL . 4.0 t80 -95.91 -36.06 11.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -72.38 -4.3 29.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.799 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 14.8 t80 -102.74 -43.19 5.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 102' ' ' GLN . 14.2 p -66.02 -54.96 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.558 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -40.38 -47.45 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.247 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 61.4 t90 -62.09 -55.53 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 108.042 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.799 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -45.6 -56.61 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.471 ' HD3' ' CE ' ' A' ' 13' ' ' MET . 17.4 tttm -50.93 -61.8 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.33 -56.63 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.681 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 64.2 t80 -56.8 -55.4 34.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -42.68 -53.57 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -58.93 -49.44 77.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.3 t 63.27 139.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.35 -114.55 0.37 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.18 3.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.0 m -140.01 165.34 27.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.953 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.0 t -165.69 -57.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.145 . . . . 0.0 110.994 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -120.11 100.73 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 t -131.81 116.67 17.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.89 -164.76 26.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.09 96.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 p -169.46 133.57 1.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.41 -120.03 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -60.84 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 0.731 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -94.7 164.64 12.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.32 144.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m80 63.38 10.6 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.589 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -94.22 -32.86 13.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.426 ' CE ' ' HA ' ' A' ' 102' ' ' GLN . 33.9 mmm -90.5 -35.45 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.39 -43.58 44.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.32 82.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.544 ' CZ2' ' CZ ' ' A' ' 40' ' ' PHE . 38.4 t90 -45.44 -59.23 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.483 HG22 HD23 ' A' ' 23' ' ' LEU . 2.3 mp -61.91 -61.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' ILE . 56.7 m-20 -39.19 -42.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.33 61.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.4 m -161.71 -43.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.768 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -125.55 2.42 7.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 71.26 60.99 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.768 HD21 ' HB2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -98.62 -157.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -176.02 56.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 30' ' ' GLN . 40.8 mt -80.43 148.41 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -111.57 -17.32 13.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -140.65 162.38 35.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.798 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.5 mm -74.37 -26.39 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -13.47 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.643 ' HB3' HD22 ' A' ' 25' ' ' LEU . 6.0 mm-40 -62.94 -14.17 43.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.798 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -94.09 30.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.482 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 26.4 p -94.12 31.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.273 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 p -123.22 -61.0 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.77 52.66 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.042 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 56' ' ' PHE . . . -123.93 -53.85 1.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.88 -56.1 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -50.48 -59.08 4.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.751 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -43.09 -61.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.624 ' HB3' HD22 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -47.92 -47.51 32.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.544 ' CZ ' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -58.29 -40.21 81.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.571 ' HB3' HD11 ' A' ' 49' ' ' ILE . 15.9 mmm -63.44 -56.63 14.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -48.06 -42.22 28.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -24.07 66.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' MET . 55.2 mt -96.75 -57.17 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.417 ' CD2' ' CE ' ' A' ' 78' ' ' MET . 57.9 m-85 -121.94 109.2 34.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.32 3.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.16 -20.88 20.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.9 p -56.17 -35.24 66.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.751 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -118.89 -167.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.56 68.31 1.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.706 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -49.63 -23.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.509 ' HA ' ' CE ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -91.8 42.43 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -160.08 -44.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.548 HG11 HD23 ' A' ' 51' ' ' LEU . 7.4 p -48.79 154.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -104.62 101.81 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.706 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.4 m-30 -90.52 27.66 1.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -157.15 24.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.583 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -67.02 124.98 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.424 ' C ' HD23 ' A' ' 60' ' ' LEU . 3.1 mmmm -109.49 -16.2 14.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.775 HD12 ' NE2' ' A' ' 62' ' ' HIS . 5.3 mt -100.87 162.23 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -74.67 -55.13 6.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.775 ' NE2' HD12 ' A' ' 60' ' ' LEU . 11.4 p80 -39.31 -34.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.583 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.8 mm-40 -68.21 -55.32 12.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.764 ' HB3' HG12 ' A' ' 90' ' ' VAL . 13.4 m-30 -38.02 -43.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.543 HG13 HG11 ' A' ' 90' ' ' VAL . 2.0 mp -54.3 -69.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -40.19 -54.93 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -43.1 -53.13 5.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' HB3' HG22 ' A' ' 86' ' ' VAL . 26.0 m-85 -65.57 -42.7 91.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -45.25 -46.08 12.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.482 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 97.2 mt -64.63 -56.72 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.581 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -49.25 -48.77 45.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.4 -33.75 4.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -70.02 -37.86 75.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -52.63 -20.19 7.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.486 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 4.9 m-30 -89.5 -64.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.98 -22.42 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -77.56 -37.73 50.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.417 ' CE ' ' CD2' ' A' ' 45' ' ' PHE . 3.9 mmt -88.33 -51.55 5.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.44 56.77 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.519 HG12 ' HB3' ' A' ' 82' ' ' LYS . 79.5 t -112.63 118.21 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -82.25 64.35 6.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 22.6 tptt -138.03 120.62 16.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.2 mm -94.52 85.82 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.871 HG22 HG23 ' A' ' 86' ' ' VAL . 42.1 mt -43.25 142.82 1.52 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.727 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.96 -56.55 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.871 HG23 HG22 ' A' ' 84' ' ' ILE . 65.5 t 64.36 -77.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -44.39 -26.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 86' ' ' VAL . 6.9 mtpp -89.3 -39.64 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' VAL . 15.3 mt -68.73 -51.99 35.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.764 HG12 ' HB3' ' A' ' 64' ' ' TYR . 26.5 m -58.66 -16.71 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' GLY . 21.8 mtmt -92.1 22.93 4.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' LYS . . . 37.77 52.56 1.96 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 97' ' ' ASN . 6.8 mtmt -97.78 82.23 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 98' ' ' PHE . 61.9 t80 -37.54 -46.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.0 84.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -86.05 4.08 39.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.531 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -105.33 -31.11 9.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.611 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.6 t80 -90.29 -36.45 14.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.01 -7.48 53.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 4.3 t80 -102.9 -37.42 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.611 HG12 ' HA ' ' A' ' 98' ' ' PHE . 9.3 p -74.41 -39.59 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.426 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 5.8 pt20 -55.38 -26.73 43.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 33.8 t90 -84.46 -50.91 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.802 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -45.35 -55.61 5.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -52.7 -55.28 23.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.1 -63.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -50.47 -54.25 23.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -48.48 -52.46 22.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -48.94 -48.67 42.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.5 t 58.12 96.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.69 -97.0 0.3 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 53.73 3.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.9 t -171.45 131.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.944 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.93 112.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 m -90.78 161.04 15.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.736 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.85 147.09 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.01 178.96 17.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.106 . . . . 0.0 110.962 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -118.37 155.8 30.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -114.41 -57.81 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.95 -176.41 1.16 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 63.72 123.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.25 173.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.02 -75.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -47.85 -24.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.644 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -54.87 -43.87 73.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.598 ' HB2' HD11 ' A' ' 28' ' ' ILE . 65.5 mmm -78.08 -52.01 9.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.893 HD21 HG12 ' A' ' 28' ' ' ILE . 4.1 mt -47.23 -41.76 19.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -66.0 -42.69 89.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.486 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 20.2 t90 -44.93 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.418 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.3 mp -50.61 -58.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' ILE . 78.9 m-20 -39.73 -44.89 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -97.3 61.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -159.19 -46.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.788 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -124.47 -0.21 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER 75.91 68.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.343 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -108.28 -156.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -178.14 53.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 30' ' ' GLN . 20.6 mt -82.52 147.2 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.0 p -112.03 -20.44 11.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -128.86 133.56 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.893 HG12 HD21 ' A' ' 14' ' ' LEU . 4.4 mm -54.07 -28.77 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -13.26 29.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' HB3' HD22 ' A' ' 25' ' ' LEU . 18.2 mm-40 -61.49 -15.93 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -94.17 23.97 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.0 p -70.89 -23.69 62.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 108.325 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -72.43 -52.86 14.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.61 53.07 2.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HB1' ' CE1' ' A' ' 56' ' ' PHE . . . -119.6 -48.06 2.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.73 -48.56 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -55.8 -52.02 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.74 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -49.82 -61.45 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 108.341 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.593 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -48.08 -54.35 13.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.471 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -48.88 -46.9 43.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.577 ' HB3' HD11 ' A' ' 49' ' ' ILE . 12.3 mmm -57.33 -63.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.23 -31.29 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.13 -34.59 66.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' MET . 92.6 mt -88.29 -57.73 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' MET . 40.8 m-85 -114.6 105.36 53.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.61 5.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.52 25.51 13.58 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.485 1.115 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.7 p -104.81 -32.71 8.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 0.791 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.74 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -117.6 -167.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -131.31 64.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.593 HD21 ' HZ ' ' A' ' 56' ' ' PHE . 1.7 mt -46.59 -25.25 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.61 42.57 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.689 ' HB3' HD13 ' A' ' 70' ' ' ILE . 3.2 ttpt -159.47 -44.95 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.573 HG11 HD23 ' A' ' 51' ' ' LEU . 7.7 p -47.94 151.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -103.28 104.61 14.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.593 ' HZ ' HD21 ' A' ' 51' ' ' LEU . 4.5 m-30 -92.02 16.69 10.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -145.14 23.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -67.78 126.35 29.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -18.47 12.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.776 HD12 ' NE2' ' A' ' 62' ' ' HIS . 6.7 mt -99.18 162.88 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.8 tt0 -74.29 -55.15 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.776 ' NE2' HD12 ' A' ' 60' ' ' LEU . 11.3 p80 -39.51 -33.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.579 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -69.4 -56.1 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.646 ' HB3' HG12 ' A' ' 90' ' ' VAL . 12.7 m-30 -37.17 -49.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.541 HG13 HG11 ' A' ' 90' ' ' VAL . 1.6 mp -47.61 -61.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -45.3 -55.7 5.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -41.37 -51.29 3.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.584 ' HB3' HG22 ' A' ' 86' ' ' VAL . 44.0 m-85 -67.17 -46.02 75.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -42.25 -46.94 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.689 HD13 ' HB3' ' A' ' 53' ' ' LYS . 94.7 mt -65.51 -57.06 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.8 tm? -46.6 -54.83 8.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.54 -58.87 2.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.78 -33.83 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -54.23 -34.52 53.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.5 m-30 -77.27 -46.68 22.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -19.52 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -79.46 -46.71 16.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.453 ' HE2' ' CD2' ' A' ' 45' ' ' PHE . 60.5 mmm -81.64 -66.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 146.53 56.84 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.411 HG12 ' HB3' ' A' ' 82' ' ' LYS . 96.3 t -109.7 111.24 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.87 69.2 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 48.7 tptt -142.09 122.16 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.5 mt -99.48 87.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.775 HG22 HG23 ' A' ' 86' ' ' VAL . 22.2 mt -48.38 139.75 10.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.02 -51.76 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.775 HG23 HG22 ' A' ' 84' ' ' ILE . 95.2 t 65.94 -71.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 1.8 t0 -48.27 -23.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 86' ' ' VAL . 22.4 mtpt -90.97 -35.78 14.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 68' ' ' PHE . 24.3 mt -74.28 -54.76 7.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.646 HG12 ' HB3' ' A' ' 64' ' ' TYR . 22.7 m -56.34 -18.57 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 12.7 mmmt -77.43 -14.84 59.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.28 35.58 37.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.39 93.57 8.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -45.62 -44.95 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.89 -60.78 3.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -57.35 -18.04 15.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.446 ' HB3' HG22 ' A' ' 28' ' ' ILE . 3.9 m-80 -87.47 -49.55 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.621 ' HA ' HG12 ' A' ' 101' ' ' VAL . 38.1 t80 -65.26 -33.28 75.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -80.25 -8.81 59.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.803 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.2 t80 -104.69 -27.28 11.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.791 HG11 HD12 ' A' ' 28' ' ' ILE . 14.2 p -80.62 -47.09 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.425 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.3 OUTLIER -52.39 -21.37 3.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 64.9 t90 -90.45 -58.21 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.03 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.803 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -43.1 -33.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.486 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 4.5 tmtt? -75.57 -50.87 14.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.08 -58.31 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -54.44 -47.89 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 104' ' ' PHE . 2.1 m-85 -54.0 -26.98 28.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.07 28.35 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -114.32 170.32 8.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.23 149.31 10.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.65 38.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 m 59.93 85.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.9 147.5 51.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.007 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.91 160.44 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 0.743 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.14 149.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.7 -116.67 1.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m 64.31 155.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 m -92.72 -49.85 5.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.36 161.82 16.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER 179.69 -62.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 8' ' ' GLN . 1.3 mtt180 40.87 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -169.25 -65.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -57.84 -16.08 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.624 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -56.08 -52.18 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.631 ' HE2' HG22 ' A' ' 101' ' ' VAL . 74.7 mmm -73.53 -53.23 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.606 HD21 HG12 ' A' ' 28' ' ' ILE . 5.0 mt -39.62 -46.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.214 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -65.08 -46.85 79.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.545 ' CH2' ' HA ' ' A' ' 105' ' ' LYS . 29.9 t90 -44.15 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mp -50.52 -59.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 21' ' ' LEU . 86.4 m-20 -43.41 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -40.7 -68.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 40' ' ' PHE . 66.9 m -38.28 -38.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.464 HD22 ' CD ' ' A' ' 39' ' ' GLN . 54.4 mt -114.52 -130.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.479 ' H ' HD22 ' A' ' 23' ' ' LEU . 3.9 mm-40 -145.68 43.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD22 ' H ' ' A' ' 22' ' ' GLN . 2.9 mm? -99.84 -167.77 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.405 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 26.5 t30 -166.8 39.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.476 HD22 ' HB3' ' A' ' 30' ' ' GLN . 20.9 mt -57.44 143.6 39.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.438 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.5 t -102.75 -26.1 13.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -127.86 163.87 23.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.734 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.4 mm -74.68 -32.05 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -15.29 22.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.476 ' HB3' HD22 ' A' ' 25' ' ' LEU . 12.1 mm-40 -61.92 -13.99 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -91.9 29.2 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.3 p -92.86 19.28 7.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 108.279 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 p -110.21 -59.0 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.01 47.77 2.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.562 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -118.48 -54.3 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.82 -58.42 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -45.89 -50.34 14.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.703 ' SG ' HG21 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -50.02 -54.4 20.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 108.276 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.464 ' CD ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -51.66 -58.61 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -44.01 -48.76 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.556 ' HB3' HD11 ' A' ' 49' ' ' ILE . 24.1 mmm -55.95 -60.09 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.83 -43.42 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.8 ttp -61.33 -37.26 82.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' A' ' 108' ' ' PHE . 52.6 mt -84.17 -67.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' MET . 35.2 m-85 -111.15 105.93 57.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 121.67 6.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.91 -21.53 37.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.3 p -58.22 -31.79 67.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.703 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -117.92 -171.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -128.63 61.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.646 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -43.33 -27.32 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.32 42.4 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HB3' HD13 ' A' ' 70' ' ' ILE . 15.2 ttpt -160.88 -44.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.523 HG11 HD23 ' A' ' 51' ' ' LEU . 6.7 p -47.31 146.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 4.2 mmtp -103.89 93.17 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.646 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 4.0 m-30 -73.16 -34.93 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.02 40.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' A' ' 55' ' ' LYS . . . -86.39 131.38 34.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.432 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -116.88 -30.96 5.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.835 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.86 153.42 27.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.561 ' O ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -66.51 -56.7 9.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.655 ' HA ' HD13 ' A' ' 65' ' ' ILE . 13.4 p80 -37.72 -38.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.593 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.457 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -62.09 -59.61 4.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 12.2 m-30 -38.05 -50.81 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.655 HD13 ' HA ' ' A' ' 62' ' ' HIS . 3.4 mp -42.84 -63.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ASN . 9.2 mt-30 -51.77 -55.09 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 66' ' ' GLN . 1.5 m-20 -37.65 -46.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.613 ' CD2' HG13 ' A' ' 86' ' ' VAL . 37.3 m-85 -72.57 -47.04 51.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -41.39 -42.47 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.606 HG22 HG22 ' A' ' 49' ' ' ILE . 96.0 mt -68.25 -55.62 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.9 tm? -51.96 -54.36 30.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.643 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -46.91 -40.18 13.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -64.18 -33.47 75.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -54.35 -31.51 50.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.477 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.3 m-30 -77.78 -53.77 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -26.13 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -72.56 -45.0 61.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.5 mmt -82.0 -56.36 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 75' ' ' PHE . . . 138.9 56.92 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.413 HG12 ' HB3' ' A' ' 82' ' ' LYS . 76.6 t -124.97 101.17 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.96 65.3 6.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 45.6 tptt -116.71 121.3 41.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.6 mm -78.91 114.8 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.643 HD12 ' HG2' ' A' ' 72' ' ' GLN . 16.8 mt -87.14 122.09 71.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.04 65.93 6.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.526 1.803 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.843 ' O ' HG22 ' A' ' 90' ' ' VAL . 55.9 t -63.08 -64.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -38.91 -30.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.0 mtpp -90.45 -60.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 100' ' ' PHE . 81.3 mt -44.21 -45.17 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 86' ' ' VAL . 31.6 m -63.84 -36.18 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 88' ' ' LYS . 13.8 mttp -66.33 -24.78 66.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.42 100.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.81 27.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 96' ' ' ASP . 39.4 t80 53.08 177.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.424 ' N ' ' CD2' ' A' ' 94' ' ' PHE . 0.3 OUTLIER 65.56 -69.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.4 m-20 -61.64 -16.27 47.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.436 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 1.6 m-80 -90.43 -37.1 14.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.526 ' HA ' HG12 ' A' ' 101' ' ' VAL . 1.8 t80 -80.42 -40.97 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.07 -7.53 36.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.816 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 13.8 t80 -100.3 -50.1 4.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.631 HG22 ' HE2' ' A' ' 13' ' ' MET . 8.7 p -58.8 -55.62 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.546 ' N ' HG13 ' A' ' 101' ' ' VAL . 1.4 pp0? -39.54 -47.82 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 64.9 t90 -62.43 -55.77 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.816 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -46.82 -51.63 16.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.545 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 3.6 tmtt? -55.21 -64.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.56 -55.4 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -55.01 -50.23 69.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.534 ' CD2' HD11 ' A' ' 44' ' ' LEU . 1.5 m-85 -53.76 -54.62 35.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -41.13 -51.75 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.8 t 61.91 126.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 165.17 100.81 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.92 5.46 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.1 t -168.45 91.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.2 p -93.26 147.37 22.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.42 155.71 30.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.94 155.15 31.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.45 87.79 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -158.53 132.92 8.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 0.783 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.05 -59.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.049 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.32 148.31 8.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -52.87 4.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 0.771 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -89.62 177.54 6.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.511 ' NH1' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER 68.6 -66.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.272 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -13.97 24.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.625 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.77 -54.95 40.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.426 ' O ' HD12 ' A' ' 17' ' ' ILE . 78.1 mmm -66.34 -52.46 46.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD11 ' NH1' ' A' ' 10' ' ' ARG . 5.1 mt -43.55 -42.96 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.74 91.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.523 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 42.4 t90 -49.73 -48.93 49.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.677 HG23 HD12 ' A' ' 21' ' ' LEU . 2.9 mp -74.22 -62.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 26.3 m-20 -40.42 -60.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.95 53.31 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.5 m -172.25 -40.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.801 HD22 ' HB3' ' A' ' 39' ' ' GLN . 80.5 mt -115.71 -1.01 12.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 23' ' ' LEU . 2.2 mt-30 65.76 11.22 7.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD23 ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -53.48 -172.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -158.41 72.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 30' ' ' GLN . 16.2 mt -112.68 141.52 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.831 HG23 ' HG3' ' A' ' 27' ' ' LYS . 1.7 t -101.62 -27.84 12.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.831 ' HG3' HG23 ' A' ' 26' ' ' THR . 2.5 mtpm? -121.89 165.34 16.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.697 HD12 HG11 ' A' ' 101' ' ' VAL . 3.9 mm -75.63 -38.81 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.03 -20.01 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.716 ' HB3' HD22 ' A' ' 25' ' ' LEU . 10.4 mm-40 -58.56 -17.02 18.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -92.59 29.72 1.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.481 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 30.8 p -93.47 20.53 7.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p -108.47 -61.97 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.6 48.72 1.01 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.23 -54.88 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.65 -63.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -41.27 -55.29 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.689 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.1 m -46.11 -60.19 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.801 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.39 -59.07 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.495 ' CE2' ' CZ3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -44.16 -53.4 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.525 ' HB3' HD11 ' A' ' 49' ' ' ILE . 22.5 mmm -52.49 -61.18 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' MET . 1.2 t70 -39.63 -43.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 ttm -62.62 -47.39 83.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.453 HD11 ' CD2' ' A' ' 108' ' ' PHE . 83.0 mt -72.27 -64.79 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' MET . 53.0 m-85 -115.88 103.72 53.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.43 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.55 -27.54 12.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.2 p -55.36 -29.88 59.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 0.756 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.689 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -118.81 -170.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -133.9 67.55 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.763 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -50.18 -22.84 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.78 39.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -157.85 -45.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.651 HG11 HD23 ' A' ' 51' ' ' LEU . 5.6 p -46.09 153.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -102.73 99.05 8.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.763 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.1 m-85 -88.54 32.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -168.03 30.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.233 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -74.76 132.71 41.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.479 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -111.51 -31.38 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.832 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.52 155.34 23.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -67.82 -54.02 22.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 16.2 p80 -39.81 -36.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.702 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -64.23 -53.43 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.763 ' HB3' HG12 ' A' ' 90' ' ' VAL . 8.7 m-30 -43.55 -41.35 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.549 HG13 HG11 ' A' ' 90' ' ' VAL . 1.1 mp -56.5 -69.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.487 ' N ' HG22 ' A' ' 65' ' ' ILE . 15.4 mt-30 -42.47 -52.96 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -42.71 -51.9 5.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' HB3' HG22 ' A' ' 86' ' ' VAL . 23.5 m-85 -66.96 -44.0 81.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -44.0 -44.07 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.9 mt -66.2 -57.86 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.8 tm? -48.9 -46.89 43.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.3 -46.38 25.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.99 66.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -58.72 -20.5 47.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.49 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.3 m-30 -94.18 -58.13 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.95 -28.52 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 72.7 mtt-85 -72.75 -39.39 66.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.9 mmt -85.61 -67.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 147.91 52.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.476 HG12 ' HB3' ' A' ' 82' ' ' LYS . 51.4 t -108.29 119.71 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.48 66.86 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 23.1 tptt -141.08 111.5 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.4 mm -90.2 84.64 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.869 HG22 HG23 ' A' ' 86' ' ' VAL . 59.3 mt -41.94 139.83 1.6 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.2 Cg_endo -75.02 -52.51 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.869 HG23 HG22 ' A' ' 84' ' ' ILE . 98.7 t 65.31 -73.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 43.4 t0 -45.4 -25.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 86' ' ' VAL . 3.5 mtpp -88.83 -39.12 14.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' VAL . 14.9 mt -70.43 -55.71 8.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.763 HG12 ' HB3' ' A' ' 64' ' ' TYR . 24.1 m -54.65 -30.08 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 8.1 mmmt -72.9 -23.26 60.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.04 70.7 1.02 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -102.46 12.63 36.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 97' ' ' ASN . 46.9 t80 57.51 -80.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' LYS . 54.7 tt0 -46.3 -55.52 7.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -52.79 -21.14 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.508 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -91.47 -56.5 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.64 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.6 t80 -57.04 -39.09 74.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.422 ' HG3' ' CG ' ' A' ' 95' ' ' GLN . 30.7 mm-40 -76.03 -4.75 43.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.0 t80 -108.1 -32.87 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.697 HG11 HD12 ' A' ' 28' ' ' ILE . 14.5 p -76.99 -44.06 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.6 pt20 -55.98 -23.37 32.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 28.2 t90 -87.81 -44.23 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.044 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -56.6 -25.56 53.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 5.2 tmtt? -85.24 -54.12 4.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -51.75 25.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -56.41 -54.94 39.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.453 ' CD2' HD11 ' A' ' 44' ' ' LEU . 1.7 m-85 -45.72 -49.42 14.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.2 -57.04 5.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.3 t -151.31 139.65 20.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -153.7 93.03 0.13 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 54.11 3.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.5 114.87 20.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.2 m 63.38 -89.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -110.02 86.66 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -166.34 103.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.79 66.49 0.48 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 p -91.07 -57.71 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.979 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -68.88 122.5 18.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.92 56.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -171.67 113.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -52.2 176.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.575 ' NH1' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER 69.99 -71.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -55.56 -18.89 8.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.616 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -54.83 -52.29 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.465 ' HB2' HD11 ' A' ' 28' ' ' ILE . 85.5 mmm -70.5 -53.25 16.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.575 HD11 ' NH1' ' A' ' 10' ' ' ARG . 4.1 mt -42.53 -42.45 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.16 90.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.523 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 26.7 t90 -46.16 -77.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.596 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.1 mp -46.95 -53.91 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -43.9 -46.3 7.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.63 59.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -157.37 -44.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.963 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.781 ' HB2' HD21 ' A' ' 23' ' ' LEU . 1.3 mt -128.99 4.36 5.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.449 ' C ' HD22 ' A' ' 23' ' ' LEU . 0.7 OUTLIER 70.39 71.71 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.781 HD21 ' HB2' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -107.24 -159.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -176.9 68.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.702 HD22 ' HB3' ' A' ' 30' ' ' GLN . 58.0 mt -98.0 145.09 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.922 HG23 ' HG3' ' A' ' 27' ' ' LYS . 9.5 t -105.89 -21.88 13.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.922 ' HG3' HG23 ' A' ' 26' ' ' THR . 45.1 mtpt -128.96 158.4 38.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.763 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.2 mm -74.62 -28.92 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -66.57 -9.88 39.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.702 ' HB3' HD22 ' A' ' 25' ' ' LEU . 12.8 mm-40 -66.31 -10.7 45.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -93.44 27.14 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.5 p -94.47 32.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 108.336 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 p -116.87 -49.81 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.13 49.05 3.62 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' ALA . . . -123.74 -57.31 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -38.58 -56.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -49.64 -56.82 8.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.756 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -44.78 -68.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.747 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -41.0 -53.26 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -49.21 58.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.635 ' HB3' HD11 ' A' ' 49' ' ' ILE . 14.7 mmm -54.34 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -44.02 -33.08 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -72.38 -40.19 67.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' MET . 94.2 mt -83.98 -64.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' MET . 82.9 m-85 -101.78 109.82 60.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.3 7.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.08 40.45 13.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.482 ' C ' HD13 ' A' ' 49' ' ' ILE . 22.2 p -112.6 -34.1 5.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.013 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.756 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -120.65 -176.99 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -122.25 66.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.654 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.3 mt -46.4 -25.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' CD ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.47 41.43 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -160.58 -44.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.635 HG11 HD23 ' A' ' 51' ' ' LEU . 5.8 p -47.15 153.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -104.09 100.6 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.654 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.1 m-85 -89.76 36.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -172.09 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.693 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -71.07 131.4 43.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -116.48 -7.09 11.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.783 HD12 ' NE2' ' A' ' 62' ' ' HIS . 6.9 mt -114.66 154.42 28.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 mt-10 -65.41 -54.23 31.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.783 ' NE2' HD12 ' A' ' 60' ' ' LEU . 17.7 p80 -39.75 -33.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.618 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.693 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -68.87 -60.22 2.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.68 ' HB3' HG12 ' A' ' 90' ' ' VAL . 14.2 m-30 -37.01 -42.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 66' ' ' GLN . 1.1 mp -53.33 -72.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.532 ' N ' HG22 ' A' ' 65' ' ' ILE . 15.9 mt-30 -42.33 -54.11 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' GLN . 3.0 m-20 -39.92 -53.36 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CD2' HG13 ' A' ' 86' ' ' VAL . 14.0 m-85 -66.49 -45.17 80.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -42.89 -43.98 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.673 HG22 HG22 ' A' ' 49' ' ' ILE . 95.0 mt -66.54 -55.21 19.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.537 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -50.42 -52.44 37.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.414 ' NE2' HG13 ' A' ' 84' ' ' ILE . 2.5 tp60 -50.71 -37.98 44.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -65.92 -22.66 66.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -71.19 -17.53 75.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.48 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.2 m-30 -89.65 -49.27 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -36.57 82.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -56.84 -50.68 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.4 mmm -79.42 -66.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 156.83 65.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.426 ' HB ' ' CB ' ' A' ' 75' ' ' PHE . 78.1 t -135.28 113.38 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -95.49 67.0 2.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 43.4 tptt -117.1 123.91 47.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.8 mm -79.15 109.82 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.537 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 17.9 mt -83.49 118.63 72.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -75.03 65.91 6.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.905 ' O ' HG22 ' A' ' 90' ' ' VAL . 39.2 t -64.24 -63.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' VAL . 43.6 t0 -39.32 -30.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 91' ' ' LYS . 24.5 mtpt -90.96 -59.49 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.506 HD13 ' CE1' ' A' ' 68' ' ' PHE . 73.5 mt -44.32 -42.97 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.905 HG22 ' O ' ' A' ' 86' ' ' VAL . 35.3 m -68.19 -35.41 71.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 88' ' ' LYS . 9.2 mtpt -71.96 -15.14 62.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.3 64.31 2.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 96' ' ' ASP . 14.7 mmtt -99.52 84.26 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -37.88 -34.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.461 ' CG ' ' OE2' ' A' ' 99' ' ' GLU . 27.8 tt0 -70.12 -50.29 42.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.448 ' OD2' ' CB ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -85.21 9.71 14.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.518 ' HB3' HG22 ' A' ' 28' ' ' ILE . 1.4 m-80 -107.51 -31.5 8.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.49 ' HA ' HG12 ' A' ' 101' ' ' VAL . 3.8 t80 -94.69 -32.66 13.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.461 ' OE2' ' CG ' ' A' ' 95' ' ' GLN . 41.9 mt-10 -80.7 -11.13 59.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.806 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 1.3 t80 -97.22 -33.48 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 98' ' ' PHE . 8.4 p -77.02 -36.96 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 9.8 pt20 -60.8 -29.29 69.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 21.9 t90 -82.17 -45.69 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 107.988 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.806 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -52.53 -44.27 65.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 13.1 tttt -61.96 -60.42 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -60.23 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -53.4 -46.43 69.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.33 -31.98 68.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.3 28.48 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.7 124.24 10.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -61.51 -69.18 1.37 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 169.77 21.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.6 t 43.61 85.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.54 155.97 32.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -168.07 89.07 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.4 135.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.93 -168.74 45.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -100.85 126.54 47.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -166.28 147.88 6.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.37 -147.67 17.14 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -142.3 -56.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -76.6 176.99 7.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 0.1 OUTLIER 68.94 -68.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -14.27 26.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.564 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -53.57 -60.28 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.547 ' HE2' HG22 ' A' ' 101' ' ' VAL . 82.5 mmm -63.15 -54.19 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 14' ' ' LEU . 5.0 mt -40.82 -44.76 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.79 -49.62 77.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 38.5 t90 -46.35 -59.81 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.04 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.48 HG22 HD23 ' A' ' 23' ' ' LEU . 3.5 mp -61.19 -59.91 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -40.28 -45.22 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 55.12 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -155.98 -44.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.73 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -131.32 7.86 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 64.9 46.72 2.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.259 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.605 HD21 HD12 ' A' ' 21' ' ' LEU . 1.9 mm? -67.23 -177.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.5 54.16 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.805 HD22 ' HB3' ' A' ' 30' ' ' GLN . 24.1 mt -99.18 145.46 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.453 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 64.4 p -113.87 -22.59 10.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -127.62 165.85 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.746 ' O ' HD12 ' A' ' 31' ' ' LEU . 5.7 mm -74.93 -31.72 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -18.15 57.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.805 ' HB3' HD22 ' A' ' 25' ' ' LEU . 14.9 mm-40 -60.42 -15.2 24.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -93.06 28.74 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.43 -2.28 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 p -85.5 -63.3 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.7 45.56 1.63 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.565 1.165 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HB1' ' CE1' ' A' ' 56' ' ' PHE . . . -115.68 -53.4 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -40.1 -58.74 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -45.86 -54.19 8.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.763 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.2 m -50.57 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.73 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -41.49 -46.78 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.436 ' CE2' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -56.37 -47.42 78.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.595 ' HB3' HD11 ' A' ' 49' ' ' ILE . 15.7 mmm -58.01 -62.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -40.91 -33.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -44.71 52.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.495 HD12 ' CE2' ' A' ' 108' ' ' PHE . 89.0 mt -80.9 -65.73 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' MET . 34.8 m-85 -98.71 109.35 52.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 137.56 21.94 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.35 42.02 97.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 92.2 p -113.32 -30.04 7.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.763 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -118.14 -170.19 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.56 57.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.534 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -44.82 -25.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -88.15 39.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HB3' HD13 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -157.83 -45.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.534 ' CG1' HD23 ' A' ' 51' ' ' LEU . 5.3 p -45.51 161.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' N ' HG22 ' A' ' 54' ' ' VAL . 37.2 mmtt -115.83 101.68 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.522 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.3 m-85 -89.35 32.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -162.92 29.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.715 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -66.63 125.28 25.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.457 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -107.59 -7.24 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.752 HD12 ' NE2' ' A' ' 62' ' ' HIS . 9.4 mt -119.98 158.47 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.58 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -68.34 -55.33 12.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.752 ' NE2' HD12 ' A' ' 60' ' ' LEU . 14.5 p80 -38.48 -32.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.715 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 2.4 mm-40 -69.52 -57.26 5.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.58 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 13.2 m-30 -37.96 -49.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.586 HG13 HG11 ' A' ' 90' ' ' VAL . 1.2 mp -42.74 -65.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -44.95 -53.75 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -42.98 -49.48 5.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.588 ' HB3' HG22 ' A' ' 86' ' ' VAL . 44.8 m-85 -70.77 -46.94 62.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -45.09 -43.38 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.512 HG22 HG22 ' A' ' 49' ' ' ILE . 93.6 mt -67.79 -58.2 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.552 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.2 tm? -43.11 -54.1 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -38.18 -49.62 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -44.59 -47.74 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.478 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -40.4 -42.89 2.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 m-30 -71.06 -62.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -70.19 60.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.453 ' CG ' ' O ' ' A' ' 76' ' ' LYS . 43.2 mtt-85 -164.91 -42.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.428 ' HG3' ' CD2' ' A' ' 45' ' ' PHE . 44.4 mmm -95.44 -37.54 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 136.61 69.31 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.414 ' HB ' ' CB ' ' A' ' 75' ' ' PHE . 5.2 t -148.23 126.64 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -117.13 64.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.572 ' HE2' ' CE3' ' A' ' 103' ' ' TRP . 27.9 tptt -111.34 134.87 52.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.3 mm -86.29 109.78 19.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.552 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 16.9 mt -82.5 115.64 59.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.05 64.09 6.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.783 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.842 ' O ' HG22 ' A' ' 90' ' ' VAL . 25.6 t -59.17 -61.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.467 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 2.2 t0 -39.05 -40.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 91' ' ' LYS . 20.4 mtpp -81.21 -60.73 2.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.516 HD13 ' CE1' ' A' ' 68' ' ' PHE . 82.4 mt -42.9 -52.38 5.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.842 HG22 ' O ' ' A' ' 86' ' ' VAL . 21.5 m -62.44 -34.49 64.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -75.05 -14.0 60.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' LYS . . . 64.15 75.95 0.33 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.6 OUTLIER -95.15 6.86 47.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 0.736 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.447 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 40.3 t80 57.03 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -48.67 -52.54 22.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -16.89 15.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.637 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -91.67 -35.26 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.481 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.5 t80 -80.5 -37.45 31.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -78.42 -7.84 57.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.812 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 4.4 t80 -101.2 -34.22 9.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 102' ' ' GLN . 14.4 p -73.64 -54.89 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.56 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -41.82 -32.2 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.572 ' CE3' ' HE2' ' A' ' 82' ' ' LYS . 71.5 t90 -77.79 -56.43 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.052 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.812 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -44.55 -40.8 5.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.475 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 4.3 tmtt? -68.06 -53.97 21.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -58.28 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -52.36 -59.32 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.495 ' CE2' HD12 ' A' ' 44' ' ' LEU . 2.0 m-85 -39.61 -58.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -54.0 -52.99 59.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.1 t -45.81 144.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.985 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.36 147.64 6.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 154.63 42.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.781 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.5 t 45.34 88.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.8 m -143.85 117.84 9.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.568 1.168 . . . . 0.0 110.964 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t -140.37 -57.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.93 108.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.61 158.35 27.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -154.75 133.6 12.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 0.767 . . . . 0.0 109.982 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -173.51 134.79 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.9 175.2 14.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -113.84 -46.38 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.12 175.8 7.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 70.7 -59.96 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.238 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 15' ' ' ALA . 25.7 t-80 -72.39 -4.95 33.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.608 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -64.37 -35.6 81.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.472 ' SD ' HG13 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -88.08 -50.51 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.9 mt -45.6 -45.9 14.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.577 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . . . -61.05 -45.93 92.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.515 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 25.0 t90 -46.6 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 107.972 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.593 HG22 HD23 ' A' ' 23' ' ' LEU . 2.7 mp -55.61 -58.51 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 96.6 m-20 -40.05 -46.35 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.63 56.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.443 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 61.6 m -152.58 -44.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -129.25 5.33 5.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 71.77 68.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 21' ' ' LEU . 1.1 mm? -108.16 -158.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -171.85 58.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 30' ' ' GLN . 23.2 mt -78.86 140.75 38.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.91 -30.05 8.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.77 147.52 50.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.746 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.7 mm -60.1 -17.49 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.06 -4.48 38.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.79 ' HB3' HD22 ' A' ' 25' ' ' LEU . 9.1 mm-40 -71.29 -13.4 61.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.99 27.02 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.9 p -81.69 -19.14 42.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 108.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -72.4 -63.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.86 48.45 1.62 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.492 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -118.07 -48.92 2.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -40.12 -54.23 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -50.87 -56.68 11.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.699 ' SG ' HG21 ' A' ' 49' ' ' ILE . 0.9 OUTLIER -44.49 -65.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.338 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.696 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -45.44 -60.1 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -42.89 -53.84 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.563 ' HB3' HD11 ' A' ' 49' ' ' ILE . 12.3 mmm -49.15 -63.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.25 -44.27 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -60.91 -42.16 97.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' MET . 93.1 mt -77.38 -61.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' MET . 97.3 m-85 -108.72 109.81 61.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 111.45 3.33 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.6 42.01 4.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 p -115.09 -33.62 5.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.699 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -114.77 -175.11 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.453 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -119.97 60.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.595 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -44.18 -27.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.87 42.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.655 ' HB3' HD13 ' A' ' 70' ' ' ILE . 8.9 ttpt -160.74 -44.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.518 HG11 HD23 ' A' ' 51' ' ' LEU . 6.8 p -46.19 153.37 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 14.7 mmtt -109.51 99.31 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.595 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 4.5 m-30 -81.91 -25.91 34.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -99.92 29.68 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.558 ' HB2' ' HB3' ' A' ' 55' ' ' LYS . . . -76.62 126.08 30.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.25 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' C ' HD13 ' A' ' 60' ' ' LEU . 7.6 mmmt -112.03 -32.87 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.843 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -79.81 162.09 25.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.71 ' O ' HD12 ' A' ' 65' ' ' ILE . 2.1 tt0 -78.11 -42.45 31.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.431 ' CE1' ' HG2' ' A' ' 63' ' ' GLU . 35.1 p80 -52.16 -26.86 12.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.579 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.484 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.5 mm-40 -74.49 -55.99 5.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.75 ' HB3' HG12 ' A' ' 90' ' ' VAL . 11.9 m-30 -36.73 -47.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 61' ' ' GLU . 2.9 mp -47.21 -66.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -43.02 -54.61 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -40.36 -55.05 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.519 ' HB3' HG22 ' A' ' 86' ' ' VAL . 48.9 m-85 -64.78 -46.82 80.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.27 -46.28 3.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.655 HD13 ' HB3' ' A' ' 53' ' ' LYS . 90.2 mt -67.14 -56.79 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.574 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -47.13 -49.27 22.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.36 -45.08 35.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.53 64.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -65.11 -26.84 71.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.564 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.0 m-30 -84.61 -47.95 10.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -24.06 66.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.5 mtt-85 -77.43 -56.79 4.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.1 mmt -65.3 -57.01 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.83 45.94 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.51 HG13 ' CZ ' ' A' ' 107' ' ' PHE . 95.2 t -96.99 107.18 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.37 69.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' CB ' ' CH2' ' A' ' 103' ' ' TRP . 41.7 tptt -142.58 139.19 31.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mt -111.56 93.7 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.979 HG22 HG23 ' A' ' 86' ' ' VAL . 48.0 mt -53.17 138.37 47.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.55 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.1 Cg_endo -74.98 -53.85 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.979 HG23 HG22 ' A' ' 84' ' ' ILE . 97.4 t 65.33 -74.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -35.43 -42.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -49.6 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 68' ' ' PHE . 61.1 mt -53.12 -59.74 4.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.75 HG12 ' HB3' ' A' ' 64' ' ' TYR . 35.7 m -53.95 -29.75 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 8.9 mmmt -76.47 -21.59 55.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.58 76.95 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 95' ' ' GLN . 4.7 mtmt -108.69 23.02 15.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 45.3 t80 55.95 -84.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -44.78 -60.81 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -45.14 -25.73 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.502 ' O ' HG12 ' A' ' 101' ' ' VAL . 0.9 OUTLIER -90.33 -51.12 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.558 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.3 t80 -59.47 -39.33 83.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.38 -2.25 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.809 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 5.6 t80 -110.53 -40.35 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.706 HG11 HD12 ' A' ' 28' ' ' ILE . 6.1 p -71.06 -35.76 60.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.472 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 1.5 pp0? -63.92 -40.56 96.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CH2' ' CB ' ' A' ' 82' ' ' LYS . 41.6 t90 -69.59 -55.03 11.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.809 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -42.89 -45.61 5.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.515 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 12.5 tttp -61.87 -56.45 19.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.35 -50.09 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.51 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 47.8 t80 -63.39 -56.64 14.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -44.86 -43.94 9.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.35 -42.13 86.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.9 t 62.14 -84.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -177.33 110.27 0.3 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 53.93 3.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.0 88.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.1 t -92.27 -59.37 2.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.1 p -157.89 79.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.86 135.69 35.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.88 -70.45 0.43 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.22 150.43 38.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.963 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.95 152.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.72 -179.17 20.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 179.52 124.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 110.309 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.97 171.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.87 -70.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -20.9 3.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -57.77 -48.01 80.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.582 ' HB2' HD11 ' A' ' 28' ' ' ILE . 72.4 mmm -74.58 -51.94 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.867 HD21 HG12 ' A' ' 28' ' ' ILE . 3.9 mt -44.95 -42.27 8.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.69 98.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 15.4 t90 -46.06 -75.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.54 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.7 mp -48.88 -57.23 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -41.19 -45.14 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.28 60.14 1.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.432 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 12.0 m -157.82 -44.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -128.91 4.83 5.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.32 72.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -109.79 -157.72 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -175.67 52.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 30' ' ' GLN . 51.0 mt -82.12 149.13 28.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.3 p -113.93 -18.55 11.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.57 143.01 50.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.867 HG12 HD21 ' A' ' 14' ' ' LEU . 3.6 mm -62.26 -30.07 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' CG ' ' HA ' ' A' ' 94' ' ' PHE . 6.9 mt-10 -62.01 -13.74 28.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.794 ' HB3' HD22 ' A' ' 25' ' ' LEU . 23.4 mm-40 -63.92 -16.59 61.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -93.31 28.84 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.0 p -87.38 1.55 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 p -91.82 -32.58 15.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.17 50.69 26.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.621 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -119.97 -50.95 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.97 -58.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -47.25 -52.37 16.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.713 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -49.51 -65.71 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.313 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.61 ' HB3' HD22 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -48.34 -45.5 35.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.479 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -58.07 -37.35 74.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.599 ' HB3' HD11 ' A' ' 49' ' ' ILE . 17.8 mmm -68.42 -66.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 41' ' ' MET . 0.4 OUTLIER -38.02 -31.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' MET . 2.0 ttp -75.97 -51.79 11.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.511 HD12 ' CE2' ' A' ' 108' ' ' PHE . 78.8 mt -71.53 -53.66 13.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 41' ' ' MET . 60.0 m-85 -107.96 113.42 61.01 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 126.52 10.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.428 1.752 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.72 54.13 33.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 45' ' ' PHE . 2.5 p -121.13 -35.61 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.713 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -111.35 -165.8 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -132.48 61.06 1.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.663 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.9 mt -45.69 -25.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.94 40.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.525 ' HB3' HD13 ' A' ' 70' ' ' ILE . 15.9 ttpt -158.59 -45.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.609 HG11 HD23 ' A' ' 51' ' ' LEU . 5.3 p -47.91 156.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.549 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 1.3 mmpt? -115.69 87.49 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.663 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.2 m-85 -69.07 -32.66 72.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -95.46 39.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.665 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -86.69 130.46 34.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -111.87 -31.42 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.835 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.82 156.57 26.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.57 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -68.76 -54.25 17.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 15.9 p80 -39.85 -37.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.665 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.1 mm-40 -63.43 -53.84 45.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.752 ' HB3' HG12 ' A' ' 90' ' ' VAL . 8.7 m-30 -42.93 -43.27 4.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.546 HG13 HG11 ' A' ' 90' ' ' VAL . 1.1 mp -54.91 -68.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.435 ' N ' HG22 ' A' ' 65' ' ' ILE . 5.5 mt-30 -42.33 -53.15 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.5 m-20 -42.55 -53.19 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.588 ' HB3' HG22 ' A' ' 86' ' ' VAL . 28.7 m-85 -66.24 -44.75 82.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -43.63 -43.49 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.546 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 95.7 mt -69.38 -55.64 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.511 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -48.58 -54.8 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.0 -37.51 4.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -64.26 -40.47 96.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -45.77 -41.11 9.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.158 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.558 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.3 m-30 -63.62 -56.6 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -70.26 60.29 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 75' ' ' PHE . 40.3 mtt180 -160.13 -57.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 30.1 mmm -79.37 -63.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.52 66.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 t -140.39 123.08 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -113.44 65.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 33.7 tptt -120.7 127.84 52.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.2 mm -87.42 105.04 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.929 HG22 HG23 ' A' ' 86' ' ' VAL . 10.9 mt -70.35 142.81 89.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.247 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.731 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -74.94 -56.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.929 HG23 HG22 ' A' ' 84' ' ' ILE . 70.5 t 63.79 -77.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.514 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 2.0 m-20 -41.09 -35.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -80.59 -42.53 22.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.372 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 86' ' ' VAL . 20.9 mt -64.23 -57.57 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.752 HG12 ' HB3' ' A' ' 64' ' ' TYR . 26.1 m -55.0 -31.7 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 6.5 mmmt -74.37 -3.39 30.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 47.33 71.73 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' GLN . 1.7 mmmt -101.93 9.34 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ASN . 51.0 t80 57.36 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -45.17 -58.81 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -48.3 -24.28 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.462 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -89.24 -38.48 14.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.618 ' HA ' HG12 ' A' ' 101' ' ' VAL . 21.5 t80 -72.01 -37.33 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -77.37 -7.87 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.808 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.7 t80 -104.96 -32.28 8.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.712 HG11 HD12 ' A' ' 28' ' ' ILE . 14.9 p -75.74 -46.09 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.409 ' N ' HG13 ' A' ' 101' ' ' VAL . 9.2 pt20 -52.17 -24.61 7.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.565 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 70.5 t90 -86.62 -58.49 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 107.996 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.808 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -44.92 -36.07 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.508 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 6.0 tmtt? -73.98 -54.86 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -52.72 19.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -60.67 -52.76 63.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.511 ' CE2' HD12 ' A' ' 44' ' ' LEU . 1.6 m-85 -44.06 -52.07 7.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -44.69 -61.14 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.88 -78.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.75 -88.28 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.0 42.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.3 t -111.89 107.92 17.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.4 m -88.97 112.66 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.7 p -174.37 93.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 0.782 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.48 157.33 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.79 -92.21 0.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -48.97 -60.64 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.5 p -59.24 151.42 23.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.949 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.91 111.85 3.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -100.37 -55.75 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.27 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -121.4 163.73 18.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 67.23 137.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 71.73 2.97 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -87.1 -43.65 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.616 ' HE2' HG22 ' A' ' 101' ' ' VAL . 70.8 mmm -79.83 -43.32 22.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.549 HD21 HG12 ' A' ' 28' ' ' ILE . 5.2 mt -41.95 -43.5 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.35 84.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 31.1 t90 -47.92 -62.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.493 HG22 ' HB2' ' A' ' 23' ' ' LEU . 3.4 mp -57.19 -58.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.3 m-20 -42.35 -45.91 4.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.73 49.91 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.7 m -149.97 -45.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.774 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -132.72 7.8 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 67.58 43.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.547 ' CD2' HD12 ' A' ' 21' ' ' LEU . 1.7 mm? -66.79 -178.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.04 58.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.905 HD22 ' HB3' ' A' ' 30' ' ' GLN . 28.9 mt -98.98 144.83 27.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.693 HG23 ' HG2' ' A' ' 27' ' ' LYS . 7.9 t -113.86 -25.25 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.438 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.693 ' HG2' HG23 ' A' ' 26' ' ' THR . 24.3 mmtm -131.01 140.29 50.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.587 HD12 HG11 ' A' ' 101' ' ' VAL . 2.2 mm -46.77 -48.37 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -40.14 -29.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.905 ' HB3' HD22 ' A' ' 25' ' ' LEU . 23.8 mm-40 -48.83 -22.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.529 HD11 HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -91.59 31.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' GLU . 23.0 p -89.91 -15.15 32.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 108.323 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.8 p -78.88 -61.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.88 51.5 0.95 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.489 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -113.36 -55.68 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.75 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -38.56 -59.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -43.6 -48.55 7.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.691 ' SG ' HG21 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -55.25 -65.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.774 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -49.65 -51.36 38.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.501 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -50.16 -44.9 52.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.574 ' HB3' HD11 ' A' ' 49' ' ' ILE . 12.3 mmm -58.87 -59.26 5.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.56 -40.74 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -32.9 74.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' MET . 87.3 mt -91.42 -70.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' MET . 86.4 m-85 -98.08 109.47 51.89 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.51 11.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.84 38.77 41.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p -112.83 -31.24 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.002 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.691 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -119.29 -177.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.38 64.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.631 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -46.32 -27.21 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 43.75 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -162.36 -44.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.539 HG11 ' HE1' ' A' ' 56' ' ' PHE . 6.8 p -49.49 149.61 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 12.3 mmtm -107.92 87.83 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.631 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.4 m-30 -66.88 -40.84 87.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.16 44.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.643 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -87.61 127.82 35.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' C ' HD13 ' A' ' 60' ' ' LEU . 1.8 mtpp -111.06 -32.19 6.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.02 158.22 25.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.587 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -68.87 -55.95 9.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 12.9 p80 -38.98 -39.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.643 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -59.35 -56.25 24.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.587 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 7.5 m-30 -41.77 -52.15 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.044 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.636 HD12 ' H ' ' A' ' 65' ' ' ILE . 3.6 mp -45.9 -69.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' ASN . 13.6 mt-30 -41.52 -57.83 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.2 m-20 -39.67 -53.11 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.687 ' HB3' HG22 ' A' ' 86' ' ' VAL . 41.1 m-85 -66.2 -45.98 78.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -42.59 -42.02 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.85 -56.9 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.602 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.9 tm? -47.77 -50.68 24.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.24 -40.33 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.48 78.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.03 -24.97 22.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.485 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.8 m-30 -85.5 -57.82 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -18.09 34.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -75.83 -43.18 47.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 48.9 mmm -90.05 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.06 69.25 0.01 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.441 HG12 ' HB3' ' A' ' 82' ' ' LYS . 55.8 t -121.57 107.99 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 70.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.573 ' CG ' ' CH2' ' A' ' 103' ' ' TRP . 47.2 tptt -145.13 137.05 25.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mt -116.1 91.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.705 HG22 HG23 ' A' ' 86' ' ' VAL . 47.7 mt -53.78 141.37 47.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.05 -49.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.705 HG23 HG22 ' A' ' 84' ' ' ILE . 99.1 t 65.65 -71.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.6 OUTLIER -45.42 -25.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.4 mtpp -92.15 -38.01 12.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.554 HD11 ' CE2' ' A' ' 100' ' ' PHE . 55.9 mt -73.1 -18.44 61.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' VAL . 6.3 m -101.96 12.04 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -111.11 -13.31 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.42 59.36 10.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.7 OUTLIER -94.43 9.03 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 0.786 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 97' ' ' ASN . 75.5 t80 58.08 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -46.05 -59.18 3.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.296 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -19.43 8.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.579 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -90.18 -20.17 23.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.467 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.6 t80 -97.24 -41.52 8.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -71.07 -4.53 25.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.793 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 14.7 t80 -102.05 -47.7 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.616 HG22 ' HE2' ' A' ' 13' ' ' MET . 10.0 p -61.31 -55.41 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.546 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -38.57 -45.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CH2' ' CG ' ' A' ' 82' ' ' LYS . 64.6 t90 -67.04 -61.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 107.952 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.793 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -38.4 -37.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.519 ' CB ' ' HE1' ' A' ' 13' ' ' MET . 4.4 tmtt? -70.09 -62.7 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.98 -50.15 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -63.59 -45.19 91.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.434 ' CE2' HD12 ' A' ' 44' ' ' LEU . 1.2 m-85 -55.83 -33.69 64.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.07 24.77 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.46 120.59 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -170.88 96.51 0.11 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.33 38.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.38 113.56 25.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.5 p -138.1 -59.13 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.035 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.9 p 48.71 90.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 109.978 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.81 163.14 35.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.026 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 11' ' ' HIS . . . -160.67 108.55 0.36 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.05 -53.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 109.975 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.24 -47.7 68.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.34 139.83 3.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -121.42 -39.08 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -116.4 140.35 49.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.475 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 0.3 OUTLIER 75.21 -61.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.565 ' CE1' ' HA2' ' A' ' 4' ' ' GLY . 33.6 t-80 -68.49 -8.44 41.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.605 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -69.96 -37.73 75.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.59 ' HE1' ' CB ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -81.97 -49.25 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.479 HD13 ' C ' ' A' ' 26' ' ' THR . 8.2 mt -42.98 -46.01 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.35 82.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' MET . 23.1 t90 -46.86 -69.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 108.009 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.809 HG22 HD23 ' A' ' 23' ' ' LEU . 3.2 mp -54.12 -59.04 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' ILE . 94.5 m-20 -39.66 -47.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.86 61.61 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.458 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 47.1 m -161.64 -42.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.75 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -128.38 5.48 5.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.5 66.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.809 HD23 HG22 ' A' ' 17' ' ' ILE . 1.1 mm? -106.47 -159.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -169.53 56.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 30' ' ' GLN . 28.2 mt -81.95 145.62 30.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.479 ' C ' HD13 ' A' ' 14' ' ' LEU . 68.2 p -113.4 -23.3 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -131.15 161.01 33.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.802 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.8 mm -75.86 -27.56 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.28 -8.33 31.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.474 ' HB3' HD22 ' A' ' 25' ' ' LEU . 6.8 mm-40 -69.53 -14.26 62.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.58 28.31 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.4 p -77.6 -20.02 54.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 108.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 p -73.64 -61.5 1.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.08 55.99 1.09 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.508 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -121.1 -46.81 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.16 -52.2 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -52.75 -49.43 65.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.734 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.1 m -51.21 -54.35 26.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.316 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.608 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -55.84 -57.58 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.458 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -45.05 -39.01 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.601 ' HB3' HD11 ' A' ' 49' ' ' ILE . 12.9 mmm -65.34 -63.59 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.84 -36.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -42.42 69.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.615 HD12 ' CE2' ' A' ' 108' ' ' PHE . 59.8 mt -83.25 -69.41 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 41' ' ' MET . 50.7 m-85 -89.47 112.14 49.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 123.0 7.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.13 51.68 32.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.448 ' C ' HD13 ' A' ' 49' ' ' ILE . 2.9 p -117.99 -33.17 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.734 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -117.66 -172.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.62 67.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.726 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.3 mt -48.7 -24.17 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.67 41.24 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -161.04 -43.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.571 HG11 HD23 ' A' ' 51' ' ' LEU . 7.4 p -49.44 151.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 3.3 mmtt -101.84 101.5 11.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.726 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.1 m-85 -90.29 39.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -178.03 37.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -74.51 135.33 42.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.564 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -115.87 -9.65 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.708 HD12 ' NE2' ' A' ' 62' ' ' HIS . 4.0 mt -108.24 157.11 18.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.8 mt-10 -70.53 -56.95 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.708 ' NE2' HD12 ' A' ' 60' ' ' LEU . 10.6 p80 -38.77 -31.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.537 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.528 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 2.0 mm-40 -70.79 -59.7 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.604 ' HB3' HG12 ' A' ' 90' ' ' VAL . 13.9 m-30 -36.34 -43.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.728 HG13 HG11 ' A' ' 90' ' ' VAL . 1.2 mp -53.78 -67.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ASN . 11.9 mt-30 -42.7 -56.0 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 3.0 m-20 -39.76 -52.19 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.645 ' HB3' HG22 ' A' ' 86' ' ' VAL . 37.8 m-85 -68.1 -44.74 75.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -44.18 -48.2 9.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.645 HG22 HG22 ' A' ' 49' ' ' ILE . 89.1 mt -62.19 -56.42 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.627 HD11 ' HZ ' ' A' ' 104' ' ' PHE . 1.7 tm? -47.36 -55.23 9.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -43.0 -62.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.17 -33.17 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -53.57 -23.63 21.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.464 ' CD2' ' CG1' ' A' ' 80' ' ' VAL . 8.8 m-30 -87.59 -60.76 1.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -53.94 -25.8 22.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -68.51 -55.32 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 62.8 mmm -76.02 -70.21 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.53 60.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.464 ' CG1' ' CD2' ' A' ' 75' ' ' PHE . 24.5 t -125.86 103.32 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.01 71.48 6.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 44.1 tptt -126.96 135.34 50.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.1 mm -100.97 104.79 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.006 HG22 HG23 ' A' ' 86' ' ' VAL . 69.7 mt -74.93 143.63 78.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.767 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -74.96 -60.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 1.006 HG23 HG22 ' A' ' 84' ' ' ILE . 62.7 t 65.2 -77.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.9 OUTLIER -42.34 -27.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.8 mtpp -88.35 -44.13 11.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' VAL . 16.7 mt -65.24 -47.97 74.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.728 HG11 HG13 ' A' ' 65' ' ' ILE . 23.1 m -61.43 -31.99 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 92' ' ' GLY . 0.8 OUTLIER -70.63 -8.72 53.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' LYS . . . 35.74 87.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -141.01 24.85 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' ASP . 34.3 t80 49.52 178.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 66.16 -68.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 44.0 m-20 -53.52 -20.61 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.861 ' O ' HG12 ' A' ' 101' ' ' VAL . 1.1 m-80 -90.35 -44.15 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.508 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.6 t80 -68.87 -35.77 77.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -78.13 -7.11 56.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.806 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 1.6 t80 -107.12 -46.45 3.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 97' ' ' ASN . 4.4 p -60.31 -41.04 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -52.58 -47.16 67.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.579 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 69.2 t90 -62.42 -59.05 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.023 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.806 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -42.85 -39.04 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.59 ' CB ' ' HE1' ' A' ' 13' ' ' MET . 0.0 OUTLIER -70.93 -61.82 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -52.14 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -56.77 -53.18 60.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.615 ' CE2' HD12 ' A' ' 44' ' ' LEU . 3.0 m-85 -53.32 -35.45 60.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.03 27.43 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 61.6 p -42.65 -51.2 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.31 97.69 0.19 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -44.74 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.557 1.819 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.5 p -155.49 100.48 2.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.066 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.2 p -90.12 128.47 36.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -134.33 152.82 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 m -75.38 122.79 24.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.69 93.56 0.12 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -172.43 134.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m -142.0 -54.28 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.22 88.17 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.112 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.71 -57.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.01 91.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -168.54 -63.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -15.05 18.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.593 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.02 -39.46 81.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.466 ' CE ' ' HD3' ' A' ' 105' ' ' LYS . 65.3 mmm -87.71 -52.28 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.648 HD21 HG12 ' A' ' 28' ' ' ILE . 5.9 mt -40.29 -45.6 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -63.13 -48.04 80.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.552 ' CE2' ' CZ ' ' A' ' 40' ' ' PHE . 33.5 t90 -44.4 -68.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.0 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.514 HG23 HD12 ' A' ' 21' ' ' LEU . 1.5 mp -51.63 -59.89 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' LEU . 92.7 m-20 -43.81 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -38.53 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.472 ' CB ' ' CZ ' ' A' ' 40' ' ' PHE . 20.8 m -38.12 -45.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' A' ' 39' ' ' GLN . 47.1 mt -104.32 -133.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -144.54 40.38 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -94.58 -168.72 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -170.3 44.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 30' ' ' GLN . 20.8 mt -71.84 148.01 46.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.492 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 19.9 p -105.14 -15.81 14.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -132.42 163.91 27.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.77 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.4 mm -78.44 -33.7 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.35 -14.24 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.603 ' HB3' HD22 ' A' ' 25' ' ' LEU . 6.3 mm-40 -64.45 -12.21 41.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -93.02 32.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.554 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 17.1 p -91.42 37.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 p -126.75 -63.23 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.05 46.2 1.39 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.697 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -119.13 -51.87 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.84 -59.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -46.66 -51.53 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.783 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -49.81 -50.27 45.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.542 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -55.01 -56.27 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.552 ' CZ ' ' CE2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -49.88 -39.11 38.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.577 ' HB3' HD11 ' A' ' 49' ' ' ILE . 22.6 mmm -64.22 -62.16 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -46.34 -34.74 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -35.84 74.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.492 HD12 ' CE2' ' A' ' 108' ' ' PHE . 74.3 mt -85.79 -62.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' MET . 91.0 m-85 -106.91 109.27 63.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.87 29.52 20.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.4 p -100.98 -34.35 9.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.783 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -115.05 -166.6 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -128.43 60.5 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.67 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -45.94 -25.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.44 40.45 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.494 ' HB3' HD13 ' A' ' 70' ' ' ILE . 18.9 ttpt -158.61 -45.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.518 HG11 HD23 ' A' ' 51' ' ' LEU . 5.6 p -46.11 153.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.434 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 2.9 mmpt? -110.88 93.6 4.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.697 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 3.9 m-30 -74.55 -30.69 61.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -98.72 40.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -85.39 131.57 34.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' C ' HD13 ' A' ' 60' ' ' LEU . 4.4 mtmt -113.99 -30.67 6.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.36 158.66 22.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.589 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.0 mt-10 -70.68 -55.05 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 12.7 p80 -39.36 -39.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.556 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.5 mm-40 -57.82 -62.16 2.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.589 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 7.2 m-30 -38.3 -53.55 1.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.54 HD12 ' H ' ' A' ' 65' ' ' ILE . 2.3 mp -39.05 -63.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' ASN . 12.1 mt-30 -51.24 -54.2 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.3 m-20 -40.19 -47.0 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.514 ' CD2' HG13 ' A' ' 86' ' ' VAL . 35.8 m-85 -71.17 -45.15 64.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -43.31 -47.05 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.658 HG22 HG22 ' A' ' 49' ' ' ILE . 89.1 mt -64.31 -57.4 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.572 HD11 ' HZ ' ' A' ' 104' ' ' PHE . 1.7 tm? -45.99 -55.69 6.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -48.61 -41.69 31.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -60.7 -27.83 68.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -63.93 -28.82 73.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.476 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.4 m-30 -79.86 -48.7 13.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.76 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -18.59 56.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -81.12 -48.3 12.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mmt -76.34 -56.9 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.73 53.84 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.5 t -122.24 112.17 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 65.72 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.558 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 39.4 tptt -113.85 133.79 55.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.7 mm -87.49 110.26 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.53 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 23.2 mt -84.48 115.8 62.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -74.99 67.66 5.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.965 ' O ' HG22 ' A' ' 90' ' ' VAL . 46.9 t -64.94 -58.82 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.03 -28.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 91' ' ' LYS . 40.7 mtpt -95.2 -58.55 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 79.8 mt -45.88 -41.8 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.965 HG22 ' O ' ' A' ' 86' ' ' VAL . 29.5 m -71.12 -32.51 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 88' ' ' LYS . 11.9 mttt -72.04 -12.67 61.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.71 50.63 6.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -88.11 83.16 7.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.678 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -34.63 -55.28 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -55.15 -48.34 73.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.228 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -79.95 3.48 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -99.51 -41.65 7.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.668 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.4 t80 -84.91 -36.62 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -72.36 -4.22 28.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 8.9 t80 -107.31 -40.42 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.668 HG12 ' HA ' ' A' ' 98' ' ' PHE . 10.9 p -70.09 -43.41 79.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.2 pt20 -54.41 -23.21 14.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.558 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 47.7 t90 -87.14 -53.78 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 108.02 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -46.13 -38.01 7.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.525 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 2.5 ttpm? -66.94 -44.51 80.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -54.7 32.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.07 -19.51 44.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.492 ' CE2' HD12 ' A' ' 44' ' ' LEU . 3.9 m-85 -93.39 29.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.01 -51.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.7 t -87.8 95.69 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 159.53 88.92 0.07 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.62 42.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 m -158.87 126.36 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.039 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.97 -58.88 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.14 -58.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.989 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.66 168.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.9 -163.8 10.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -151.95 149.07 28.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.4 p -131.74 150.91 52.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.14 -171.11 16.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 63.56 115.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -45.16 156.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.47 ' HD2' ' CE1' ' A' ' 94' ' ' PHE . 2.2 mtp85 71.51 135.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 74.87 1.34 3.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.61 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.36 -39.5 12.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.523 ' SD ' HG13 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -80.41 -33.51 36.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 mt -50.77 -45.71 59.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.12 79.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.457 ' CH2' ' CE2' ' A' ' 40' ' ' PHE . 30.5 t90 -45.84 -61.63 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 108.027 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.476 HG22 HD23 ' A' ' 23' ' ' LEU . 2.4 mp -61.89 -61.27 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' ILE . 62.6 m-20 -38.13 -44.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.94 60.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.6 m -159.18 -44.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.663 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -126.83 1.89 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER 72.72 72.16 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.665 HD22 ' N ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -110.82 -158.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -172.16 59.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 30' ' ' GLN . 68.9 mt -83.68 148.26 27.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -115.32 -18.69 10.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -131.8 167.25 19.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.9 ' O ' HD12 ' A' ' 31' ' ' LEU . 6.2 mm -81.2 -34.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.49 -11.93 38.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.779 ' HB3' HD22 ' A' ' 25' ' ' LEU . 4.4 mm-40 -62.02 -13.94 30.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.9 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -93.81 28.3 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.416 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 27.7 p -92.57 40.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -126.2 -64.33 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.93 48.77 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -123.62 -55.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.97 -60.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -45.32 -51.6 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.777 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.2 m -49.28 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 108.269 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.654 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -42.06 -46.02 4.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.458 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -58.26 -41.5 84.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.604 ' HB3' HD11 ' A' ' 49' ' ' ILE . 7.5 mmm -63.59 -63.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -29.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -75.29 -43.08 53.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 41' ' ' MET . 95.2 mt -77.49 -49.46 14.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 92.7 m-85 -123.57 109.28 30.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 124.28 8.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.6 33.41 22.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -108.67 -35.26 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.044 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.777 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -114.43 -167.59 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.463 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -129.57 65.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.724 HD23 HG11 ' A' ' 54' ' ' VAL . 1.9 mt -51.6 -22.02 3.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.59 38.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HB3' HD13 ' A' ' 70' ' ' ILE . 5.5 ttpt -159.13 -44.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.724 HG11 HD23 ' A' ' 51' ' ' LEU . 6.3 p -47.04 150.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 34.5 mmtt -104.78 102.53 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.614 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.2 m-85 -89.22 31.47 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -162.46 27.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -69.83 130.14 41.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.489 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -111.45 -30.95 7.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.832 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.89 165.35 18.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.697 ' O ' HD12 ' A' ' 65' ' ' ILE . 3.3 tt0 -81.25 -40.75 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.529 ' HA ' HD13 ' A' ' 65' ' ' ILE . 34.4 p80 -53.26 -30.65 39.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.595 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.591 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -68.75 -57.25 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 12.2 m-30 -37.53 -47.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 61' ' ' GLU . 2.1 mp -43.9 -68.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ASN . 4.5 mt-30 -47.87 -56.49 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.6 m-20 -39.51 -47.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 89' ' ' LEU . 20.3 m-85 -72.1 -47.38 51.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -42.56 -49.55 5.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 53' ' ' LYS . 88.9 mt -58.69 -58.08 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.556 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.5 tm? -47.76 -53.19 16.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.402 ' NE2' HG13 ' A' ' 84' ' ' ILE . 1.8 tp60 -50.33 -43.74 54.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -58.09 -28.15 64.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.83 -33.18 86.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.9 m-30 -75.21 -49.34 19.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -17.08 58.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -83.51 -54.72 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.406 ' CE ' ' CD1' ' A' ' 45' ' ' PHE . 97.2 mmm -68.94 -60.05 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 146.54 57.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.5 t -128.71 117.23 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -97.03 61.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.541 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 42.5 tptt -112.07 126.76 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.4 mm -82.28 109.91 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.556 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 18.5 mt -81.81 119.72 75.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.576 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -74.97 63.08 5.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.794 ' O ' HG22 ' A' ' 90' ' ' VAL . 40.2 t -61.57 -62.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' VAL . 1.6 t0 -39.84 -31.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 91' ' ' LYS . 27.1 mtpp -89.59 -59.84 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 68' ' ' PHE . 81.1 mt -43.92 -41.15 5.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 86' ' ' VAL . 24.5 m -71.23 -36.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 88' ' ' LYS . 42.6 mttt -70.48 -14.31 62.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.06 64.82 2.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 96' ' ' ASP . 5.6 mmpt? -103.85 82.77 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.47 ' CE1' ' HD2' ' A' ' 10' ' ' ARG . 55.9 t80 -37.73 -31.95 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' LYS . 66.3 tt0 -69.55 -50.96 39.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.227 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.495 ' OD2' ' CB ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -83.59 6.37 20.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.575 ' O ' HG12 ' A' ' 101' ' ' VAL . 1.0 OUTLIER -104.41 -41.72 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.491 ' CD2' HG13 ' A' ' 28' ' ' ILE . 2.5 t80 -80.9 -36.63 30.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -77.64 -10.74 59.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.335 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.808 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.8 t80 -95.91 -37.09 10.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 97' ' ' ASN . 6.5 p -76.09 -28.93 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.46 -28.42 68.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.541 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 57.5 t90 -84.62 -56.56 3.54 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.808 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -42.19 -45.71 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.57 -60.32 3.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -53.36 10.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -57.49 -51.73 68.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -47.71 -46.78 29.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -56.44 -51.04 69.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.4 t 60.23 116.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -133.99 -85.97 0.25 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.426 1.079 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 164.4 33.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.798 . . . . 0.0 111.026 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.0 t -149.11 117.67 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.947 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.86 -58.49 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.976 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.58 102.31 13.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 110.036 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.45 108.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.39 -146.12 4.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -48.33 -56.58 7.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.053 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -40.96 144.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.39 -125.33 4.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.77 -63.02 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -75.54 167.78 21.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 2.8 mtm105 70.84 -66.27 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -57.85 -16.8 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -61.53 -41.52 97.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' TRP . 55.2 mmm -78.32 -51.99 9.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.2 mt -42.93 -42.99 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.39 90.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 28.6 t90 -45.61 -69.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 107.994 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.13 -58.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -40.23 -45.41 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.54 60.19 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.5 m -159.05 -43.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.771 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -130.45 7.34 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 65.91 75.09 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.64 HD22 ' N ' ' A' ' 23' ' ' LEU . 1.2 mm? -109.68 -159.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -173.41 65.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -95.48 141.25 29.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.678 HG23 ' HG2' ' A' ' 27' ' ' LYS . 2.9 t -101.16 -27.08 13.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HG2' HG23 ' A' ' 26' ' ' THR . 11.1 mmtp -126.4 167.7 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.571 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.9 mm -76.54 -45.38 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.17 -24.24 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 28' ' ' ILE . 8.6 mm-40 -49.26 -22.35 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -91.59 32.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 25.5 p -92.73 21.22 5.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.326 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -110.0 -60.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.11 47.58 1.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -117.54 -55.83 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.78 -59.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -46.07 -52.94 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.811 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -52.3 -66.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.35 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.771 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.21 -47.66 9.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.403 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -57.38 -46.17 83.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.617 ' HB3' HD11 ' A' ' 49' ' ' ILE . 7.2 mmm -54.73 -60.74 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -44.45 -40.58 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -36.54 84.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' MET . 95.4 mt -82.33 -54.84 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -118.09 112.48 38.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.48 2.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.79 33.79 6.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -103.69 -35.8 8.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 0.733 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.811 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -115.4 -166.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.74 62.03 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.649 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -42.51 -28.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.14 44.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.62 ' HB3' HD13 ' A' ' 70' ' ' ILE . 7.3 ttpp -161.36 -45.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 56' ' ' PHE . 5.8 p -47.2 154.61 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 26.5 mmtt -110.51 100.56 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.649 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 5.8 m-30 -82.29 -35.12 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -91.57 28.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.629 ' HB2' ' HB3' ' A' ' 55' ' ' LYS . . . -74.61 126.48 30.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -112.62 -32.56 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.836 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -79.0 167.55 20.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.693 ' O ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -82.83 -42.5 17.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.445 ' HA ' HD13 ' A' ' 65' ' ' ILE . 34.8 p80 -51.6 -28.52 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.618 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.545 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -72.54 -55.49 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 11.8 m-30 -37.75 -47.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.693 HD12 ' O ' ' A' ' 61' ' ' GLU . 3.6 mp -48.49 -69.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -40.77 -56.06 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -40.5 -54.4 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.595 ' HB3' HG22 ' A' ' 86' ' ' VAL . 40.7 m-85 -64.89 -44.8 88.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.41 -44.84 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.63 HG22 HG22 ' A' ' 49' ' ' ILE . 98.9 mt -68.26 -57.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.4 tm? -42.58 -50.51 5.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.375 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -50.37 -43.79 54.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -58.33 -23.46 56.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.75 -25.01 76.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.63 ' CD2' HG11 ' A' ' 80' ' ' VAL . 6.3 m-30 -86.18 -46.32 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -33.77 70.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -69.03 -56.79 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.3 mmt -65.48 -70.24 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 148.5 48.04 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.63 HG11 ' CD2' ' A' ' 75' ' ' PHE . 24.9 t -101.81 113.94 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.26 68.2 10.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.562 ' CB ' ' CH2' ' A' ' 103' ' ' TRP . 23.5 tptt -134.43 120.95 20.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.8 mm -88.23 91.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.966 HG22 HG23 ' A' ' 86' ' ' VAL . 74.0 mt -55.22 142.25 58.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.01 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.966 HG23 HG22 ' A' ' 84' ' ' ILE . 62.7 t 64.29 -78.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.501 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -44.05 -27.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.8 mtpp -86.38 -41.85 14.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' VAL . 13.9 mt -67.75 -56.56 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.644 HG11 HG13 ' A' ' 65' ' ' ILE . 9.7 m -54.09 -23.3 9.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 12.4 mmmt -81.85 -23.76 36.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 65.99 77.87 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.575 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -109.52 -0.18 18.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.484 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 8.1 t80 60.95 -67.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.575 ' N ' ' O ' ' A' ' 93' ' ' LYS . 3.2 tp60 -52.71 -32.15 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.408 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -92.97 11.73 26.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.467 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -119.52 -40.73 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.459 ' HA ' HG12 ' A' ' 101' ' ' VAL . 4.7 t80 -74.71 -30.78 61.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -83.89 -13.51 53.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.736 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.2 t80 -97.36 -23.69 15.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.555 HG11 HD12 ' A' ' 28' ' ' ILE . 12.0 p -83.27 -53.92 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.549 ' N ' HG13 ' A' ' 101' ' ' VAL . 3.0 pt20 -51.46 -21.9 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.562 ' CH2' ' CB ' ' A' ' 82' ' ' LYS . 8.5 t90 -88.6 -33.92 17.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.005 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.736 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -70.58 -34.22 71.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.465 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 7.3 tmtt? -73.61 -49.68 24.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -52.12 55.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -59.67 -50.82 72.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 44' ' ' LEU . 1.8 m-85 -49.3 -49.25 44.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.73 -50.07 69.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 t 59.97 117.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -93.37 -120.46 3.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.85 15.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.469 1.773 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.94 153.05 44.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.4 p -176.65 -57.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.37 78.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -155.54 97.17 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.55 -73.21 0.48 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 t -177.92 155.82 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.58 141.53 3.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.16 -94.97 1.98 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.434 1.084 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER 57.9 101.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 42.57 -166.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 67.63 -69.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.261 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' ARG . 10.1 t-80 -57.48 -17.38 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.592 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -53.77 -46.6 71.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.542 ' HE2' HG22 ' A' ' 101' ' ' VAL . 70.9 mmm -76.02 -54.36 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.1 mt -39.76 -45.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -64.54 -47.67 77.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' MET . 26.6 t90 -42.65 -66.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mp -57.86 -62.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -40.82 -78.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -39.99 -69.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' GLU . 74.8 m -36.39 -50.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.943 HD22 ' NE2' ' A' ' 39' ' ' GLN . 89.0 mt -100.09 -126.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.613 ' H ' HD22 ' A' ' 23' ' ' LEU . 40.9 mt-30 -150.13 48.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.613 HD22 ' H ' ' A' ' 22' ' ' GLN . 2.4 mm? -105.85 -164.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -167.63 37.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 30' ' ' GLN . 19.4 mt -51.26 147.84 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.433 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 69.1 p -115.1 -19.5 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -130.81 150.53 51.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.814 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.3 mm -68.36 -18.52 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.2 -7.47 55.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.509 ' HB3' HD22 ' A' ' 25' ' ' LEU . 13.6 mm-40 -68.7 -8.38 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.814 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.55 30.16 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.6 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 20.3 p -94.17 34.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 2.9 p -122.24 -64.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.02 44.32 1.52 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.145 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -120.32 -53.28 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.36 -53.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -53.55 -58.75 6.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.771 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -43.01 -54.69 4.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.321 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.943 ' NE2' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.07 -59.41 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -48.39 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.607 ' HB3' HD11 ' A' ' 49' ' ' ILE . 24.3 mmm -55.25 -61.63 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.07 -33.21 11.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -27.19 63.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.649 HD12 ' CE2' ' A' ' 108' ' ' PHE . 89.5 mt -95.93 -59.54 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' MET . 44.3 m-85 -115.19 109.85 46.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 119.8 5.78 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.85 -22.26 35.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.4 p -52.9 -38.26 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.771 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -115.52 -164.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -134.45 64.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.591 HD21 ' HZ ' ' A' ' 56' ' ' PHE . 1.6 mt -44.63 -27.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.24 42.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -161.44 -44.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.552 HG11 HD23 ' A' ' 51' ' ' LEU . 6.5 p -48.39 145.61 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 5.1 mmtt -103.01 94.52 5.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.591 ' HZ ' HD21 ' A' ' 51' ' ' LEU . 4.1 m-30 -74.56 -40.3 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -90.52 42.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.574 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -83.89 128.92 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' C ' HD13 ' A' ' 60' ' ' LEU . 6.2 mtmt -113.59 -31.8 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.817 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.76 156.57 24.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -68.35 -54.63 16.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 15.2 p80 -39.34 -39.24 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.574 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.4 mm-40 -60.34 -58.23 9.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 32' ' ' CYS . 11.9 m-30 -39.6 -45.87 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.686 HG13 HG11 ' A' ' 90' ' ' VAL . 1.4 mp -51.43 -70.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -42.84 -52.97 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.4 m-20 -42.42 -51.55 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.563 ' HB3' HG22 ' A' ' 86' ' ' VAL . 30.4 m-85 -67.47 -43.64 80.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -43.99 -45.93 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.6 HG22 HG22 ' A' ' 49' ' ' ILE . 93.2 mt -65.13 -56.55 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -47.39 -51.62 19.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.661 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -46.5 -38.09 8.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -67.18 -35.5 79.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -52.29 -21.81 9.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.425 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 8.1 m-30 -90.14 -63.05 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -49.44 -27.66 4.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 67.2 mtt180 -74.63 -52.43 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.7 mmt -68.01 -67.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 153.71 44.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.782 HG22 ' CZ ' ' A' ' 107' ' ' PHE . 55.4 t -113.1 121.32 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -94.71 62.62 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.562 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 45.6 tptt -116.31 134.9 54.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.5 mm -100.25 102.28 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.958 HG22 HG23 ' A' ' 86' ' ' VAL . 59.8 mt -71.83 142.64 85.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.736 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -74.98 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.958 HG23 HG22 ' A' ' 84' ' ' ILE . 66.1 t 66.28 -79.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.513 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -35.18 -41.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -53.17 10.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' VAL . 34.2 mt -55.29 -58.78 6.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.686 HG11 HG13 ' A' ' 65' ' ' ILE . 19.4 m -50.8 -31.97 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -73.93 -32.9 63.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 99.35 44.2 2.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 97' ' ' ASN . 37.1 mttt -85.79 82.06 8.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -36.43 -56.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.574 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -53.24 -48.07 68.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.14 4.08 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.507 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -103.98 -32.35 9.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.235 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.484 ' HB2' HG21 ' A' ' 28' ' ' ILE . 2.7 t80 -88.28 -34.69 17.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.13 -5.81 50.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.789 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 10.2 t80 -101.31 -36.16 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 102' ' ' GLN . 14.6 p -71.87 -54.47 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.553 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.5 OUTLIER -41.65 -44.24 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.277 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 49.4 t90 -66.26 -52.08 51.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.027 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.789 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -50.27 -57.84 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -42.92 -53.62 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -44.99 -65.19 0.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.782 ' CZ ' HG22 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -41.02 -34.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.649 ' CE2' HD12 ' A' ' 44' ' ' LEU . 9.5 m-85 -87.91 37.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 106' ' ' LYS . 53.6 t0 -168.26 119.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.76 -50.23 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.87 150.9 18.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -42.27 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.792 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.3 t -76.31 130.61 38.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.7 p -113.64 140.35 48.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.92 116.77 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 0.729 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 m -102.01 -59.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.07 -111.97 0.44 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.24 144.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.04 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -63.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.018 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.09 -172.45 13.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -178.58 88.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -61.4 177.48 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER 70.32 -68.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.25 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -63.53 -13.48 41.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.602 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.36 -53.67 55.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' TRP . 79.4 mmm -66.16 -54.22 28.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.511 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.9 mt -41.92 -44.94 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.53 -48.73 76.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.514 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 33.9 t90 -46.48 -65.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.59 HG22 HD23 ' A' ' 23' ' ' LEU . 2.1 mp -57.47 -59.39 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' ILE . 55.2 m-20 -39.58 -49.03 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.15 60.61 2.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.5 m -162.06 -43.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.89 HD22 ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -126.27 5.56 7.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 65.3 70.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 21' ' ' LEU . 1.1 mm? -105.46 -156.33 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -177.16 64.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 30' ' ' GLN . 14.4 mt -98.71 150.2 22.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.457 ' O ' ' NH2' ' A' ' 10' ' ' ARG . 20.5 p -109.05 -14.62 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HA ' ' NH1' ' A' ' 10' ' ' ARG . 6.1 mtmm -140.11 172.78 12.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.644 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.8 mm -79.77 -44.04 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.491 ' HG3' ' CA ' ' A' ' 94' ' ' PHE . 2.8 mt-10 -49.25 -22.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.521 ' HB3' HD22 ' A' ' 25' ' ' LEU . 4.0 mm-40 -53.85 -19.33 4.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.644 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -91.88 33.79 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.52 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 23.0 p -92.27 27.54 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.431 ' O ' ' CE2' ' A' ' 68' ' ' PHE . 6.8 p -115.17 -60.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.48 46.88 1.61 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -117.33 -53.59 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.25 -61.73 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -43.91 -53.23 6.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.75 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -50.77 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.89 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -42.32 -41.33 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.456 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -63.22 -39.97 96.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.549 ' HB3' HD11 ' A' ' 49' ' ' ILE . 31.1 mmm -64.93 -63.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -40.36 -42.3 1.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.76 -44.12 97.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.559 ' CD1' ' CE2' ' A' ' 108' ' ' PHE . 89.1 mt -75.74 -59.08 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 78' ' ' MET . 96.6 m-85 -112.25 107.97 55.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 124.15 8.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.43 34.93 30.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -110.27 -34.09 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.75 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -109.26 -168.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.666 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -124.75 55.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.652 HD21 ' HZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -44.03 -27.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -89.98 39.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.562 ' HB3' HD13 ' A' ' 70' ' ' ILE . 9.0 ttpt -157.13 -45.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.525 HG11 HD23 ' A' ' 51' ' ' LEU . 7.5 p -47.75 150.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 7.8 mmtt -106.69 99.46 9.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.652 ' HZ ' HD21 ' A' ' 51' ' ' LEU . 4.8 m-30 -80.47 -31.12 37.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -104.17 48.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -85.84 133.97 33.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -117.16 -4.61 11.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.743 HD12 ' NE2' ' A' ' 62' ' ' HIS . 7.2 mt -116.59 160.92 19.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.475 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.6 mt-10 -73.13 -54.51 8.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.743 ' NE2' HD12 ' A' ' 60' ' ' LEU . 11.8 p80 -39.47 -36.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.57 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.502 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 3.0 mm-40 -65.04 -61.76 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.52 ' CD2' ' O ' ' A' ' 32' ' ' CYS . 13.0 m-30 -35.69 -55.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.701 HG13 HG11 ' A' ' 90' ' ' VAL . 1.3 mp -39.61 -65.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -42.91 -54.5 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -41.2 -54.19 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.573 ' HB3' HG22 ' A' ' 86' ' ' VAL . 73.4 m-85 -64.58 -44.06 91.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -44.4 -41.41 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.602 HG22 HG22 ' A' ' 49' ' ' ILE . 64.0 mt -71.28 -54.92 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.567 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -48.83 -50.57 33.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.479 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -48.0 -37.4 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -68.18 -32.0 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.464 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -54.19 -30.4 47.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -81.95 -43.71 17.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -5.93 43.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -88.02 -44.07 11.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 45' ' ' PHE . 10.6 mmt -88.98 -69.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.35 66.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.981 HG13 ' CZ ' ' A' ' 107' ' ' PHE . 92.0 t -132.4 109.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.54 69.75 10.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 45.7 tptt -122.08 134.27 54.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.7 mm -100.24 106.13 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.968 HG22 HG23 ' A' ' 86' ' ' VAL . 29.0 mt -77.1 142.72 68.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.742 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.97 -60.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.968 HG23 HG22 ' A' ' 84' ' ' ILE . 61.9 t 66.66 -79.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 5.8 t0 -40.97 -29.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' A' ' 86' ' ' VAL . 8.1 mtpp -85.18 -46.19 11.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' VAL . 14.1 mt -65.28 -56.35 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.701 HG11 HG13 ' A' ' 65' ' ' ILE . 8.3 m -51.27 -34.04 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 16.2 mmmt -73.71 -26.21 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 96.35 44.01 3.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 97' ' ' ASN . 7.2 mmtm -82.93 69.88 9.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.03 -47.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.497 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 42.8 tt0 -57.11 -57.91 10.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -3.96 27.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -91.84 -43.44 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.44 ' HA ' HG12 ' A' ' 101' ' ' VAL . 3.2 t80 -73.63 -33.51 64.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -81.17 -8.72 59.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.775 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.6 t80 -98.3 -32.63 11.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 98' ' ' PHE . 7.6 p -79.14 -35.46 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 2.2 pt20 -60.32 -29.36 68.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 35.6 t90 -82.0 -48.98 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.775 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -49.71 -60.3 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 32.1 tttp -40.82 -58.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.73 -59.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.981 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 1.6 t80 -45.05 -32.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.559 ' CE2' ' CD1' ' A' ' 44' ' ' LEU . 3.6 m-85 -89.87 -88.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 108' ' ' PHE . 0.5 OUTLIER 60.9 121.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 p -82.62 126.8 32.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.33 139.96 4.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 54.13 3.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.4 t -134.65 128.9 33.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 t -156.51 132.44 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 110.944 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -93.98 -58.09 2.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.9 p -85.88 86.86 7.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.93 132.38 2.96 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.437 1.085 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.2 156.57 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.37 -62.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.67 -115.76 0.59 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 59.74 115.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 0.8 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -61.62 178.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' NH2' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 68.82 -66.53 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -65.3 -11.26 39.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.626 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.04 -41.69 92.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TRP . 47.1 mmm -83.48 -51.82 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 28' ' ' ILE . 6.8 mt -41.53 -43.86 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.42 -47.78 78.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.627 ' CZ2' ' CE2' ' A' ' 40' ' ' PHE . 30.7 t90 -45.28 -72.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 107.967 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.605 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.2 mp -50.22 -56.87 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -42.37 -47.05 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.44 56.53 1.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.428 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 57.8 m -153.8 -44.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -127.71 4.33 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER 70.12 69.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.724 HD22 ' N ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -103.85 -156.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -177.42 58.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 30' ' ' GLN . 24.2 mt -87.88 148.35 24.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.3 p -107.17 -16.2 14.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HG2' ' NH2' ' A' ' 10' ' ' ARG . 4.0 mtmt -138.08 173.72 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.788 ' O ' HD12 ' A' ' 31' ' ' LEU . 5.3 mm -81.44 -41.82 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.64 -20.37 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.715 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.4 mm-40 -52.73 -19.96 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -91.34 34.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.3 p -92.8 22.26 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 108.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 p -107.25 -55.76 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.93 45.46 2.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.48 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -122.13 -51.1 2.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.96 -54.2 2.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -51.13 -51.21 55.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.718 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -51.1 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.297 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.633 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -43.24 -43.34 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.627 ' CE2' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -62.3 -36.21 81.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.58 ' HB3' HD11 ' A' ' 49' ' ' ILE . 20.1 mmm -70.29 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.89 -35.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -69.03 -45.09 71.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 41' ' ' MET . 80.0 mt -75.66 -53.07 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.52 ' CD1' ' HE2' ' A' ' 78' ' ' MET . 40.8 m-85 -126.72 107.94 22.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.1 16.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.87 -22.75 29.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.8 p -56.68 -35.78 68.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.718 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -112.56 -161.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.509 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -137.98 60.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.619 HD21 ' HZ ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -40.12 -29.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -88.92 43.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 70' ' ' ILE . 6.0 ttmt -159.07 -45.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 56' ' ' PHE . 7.6 p -50.45 153.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -113.13 94.7 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.619 ' HZ ' HD21 ' A' ' 51' ' ' LEU . 6.1 m-30 -73.39 -38.44 65.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -89.51 39.29 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -83.61 127.96 34.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' C ' HD13 ' A' ' 60' ' ' LEU . 2.4 ttpt -115.19 -33.36 5.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.824 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.16 158.55 26.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.6 mt-10 -69.44 -56.23 8.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 11.2 p80 -38.42 -37.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 2.1 mm-40 -63.01 -61.19 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.627 ' HB3' HG12 ' A' ' 90' ' ' VAL . 12.9 m-30 -35.94 -49.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.62 HG13 HG11 ' A' ' 90' ' ' VAL . 1.3 mp -48.92 -65.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' ASN . 9.0 mt-30 -45.7 -54.65 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.4 m-20 -39.79 -52.01 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.549 ' HB3' HG22 ' A' ' 86' ' ' VAL . 34.7 m-85 -66.95 -48.11 69.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -40.81 -41.28 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 53' ' ' LYS . 88.1 mt -71.24 -57.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.5 tm? -44.58 -50.68 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -46.01 -43.24 14.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.723 ' HB1' ' NH1' ' A' ' 77' ' ' ARG . . . -56.6 -34.63 67.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.443 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -52.57 -33.29 40.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -78.16 -50.4 12.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 2.2 ptpt -76.58 56.59 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.723 ' NH1' ' HB1' ' A' ' 73' ' ' ALA . 26.0 mtt85 -162.3 -43.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.52 ' HE2' ' CD1' ' A' ' 45' ' ' PHE . 70.2 mmm -90.04 -55.36 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 152.3 65.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.478 HG22 ' CE1' ' A' ' 107' ' ' PHE . 46.5 t -141.12 117.52 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.33 65.84 0.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.579 ' HB2' ' CH2' ' A' ' 103' ' ' TRP . 45.5 tptt -113.92 138.22 50.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mt -100.5 97.7 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.961 HG22 HG23 ' A' ' 86' ' ' VAL . 54.3 mt -68.48 137.33 90.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.235 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.5 Cg_endo -74.97 -55.03 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.961 HG23 HG22 ' A' ' 84' ' ' ILE . 60.1 t 63.6 -78.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' PRO . 66.1 t0 -39.06 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 86' ' ' VAL . 13.0 mtpp -85.31 -50.44 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 86' ' ' VAL . 19.9 mt -58.48 -48.11 81.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.627 HG12 ' HB3' ' A' ' 64' ' ' TYR . 17.5 m -61.92 -25.38 37.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 2.3 mtpm? -83.94 -14.19 51.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.71 62.25 2.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -101.11 78.12 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 93' ' ' LYS . 29.1 t80 -33.62 -40.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.43 -56.5 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -81.27 1.82 30.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -97.42 -29.97 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' HA ' HG12 ' A' ' 101' ' ' VAL . 4.2 t80 -94.1 -30.83 14.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -83.55 -7.12 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.3 t80 -102.56 -25.32 13.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.49 HG11 HD12 ' A' ' 28' ' ' ILE . 12.8 p -84.61 -39.64 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.7 pt20 -59.54 -25.69 64.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 82' ' ' LYS . 23.9 t90 -84.7 -46.31 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -53.7 -48.44 69.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.527 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 12.4 tttm -58.88 -59.24 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -61.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.478 ' CE1' HG22 ' A' ' 80' ' ' VAL . 4.4 t80 -49.75 -57.32 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -44.76 -49.36 10.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -54.7 -54.2 44.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 42.5 t -47.16 163.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.0 147.59 6.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -53.36 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.2 t -157.78 127.09 5.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 t -78.94 -61.28 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.065 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.047 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -55.79 -51.3 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' TRP . 82.0 mmm -70.54 -52.05 24.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.6 mt -41.02 -49.23 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -45.71 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' MET . 16.9 t90 -45.47 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.491 HG22 HD23 ' A' ' 23' ' ' LEU . 2.1 mp -53.04 -58.46 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' ILE . 45.2 m-20 -40.07 -44.85 1.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.83 55.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.47 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.2 m -151.66 -44.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.968 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -129.48 5.9 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.5 69.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.63 ' N ' HD22 ' A' ' 23' ' ' LEU . 1.1 mm? -106.65 -156.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -173.24 45.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 30' ' ' GLN . 56.8 mt -72.06 139.96 48.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.706 HG23 ' HG3' ' A' ' 27' ' ' LYS . 1.1 t -102.05 -28.23 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.706 ' HG3' HG23 ' A' ' 26' ' ' THR . 6.7 mttt -128.78 167.67 16.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.742 HD12 HG11 ' A' ' 101' ' ' VAL . 4.2 mm -76.26 -43.28 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.57 -25.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.624 ' HB3' HD22 ' A' ' 25' ' ' LEU . 10.4 mm-40 -51.11 -21.68 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -92.75 33.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.5 p -93.43 29.08 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.294 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 p -119.36 -61.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.77 49.19 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.65 -53.71 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.4 -58.75 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -47.57 -58.49 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.748 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.2 m -43.26 -64.78 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.62 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -46.52 -50.75 16.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.5 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -52.65 -45.42 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.573 ' HB3' HD11 ' A' ' 49' ' ' ILE . 8.4 mmm -58.51 -61.22 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.03 -41.26 3.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -39.92 95.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' MET . 89.4 mt -79.94 -62.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CD1' ' HE2' ' A' ' 78' ' ' MET . 83.1 m-85 -112.4 107.73 55.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.85 4.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.8 27.59 11.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.0 p -103.82 -33.57 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.748 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -117.51 -176.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -120.35 64.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.642 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -47.2 -25.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.51 41.88 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.629 ' HB3' HD13 ' A' ' 70' ' ' ILE . 14.6 ttpt -159.35 -44.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.557 HG11 HD23 ' A' ' 51' ' ' LEU . 6.9 p -47.55 149.15 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -99.6 102.1 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.642 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.5 m-30 -89.99 28.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -160.26 26.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -69.26 129.21 39.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -111.21 -29.05 8.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.717 HD12 ' NE2' ' A' ' 62' ' ' HIS . 4.7 mt -89.07 162.11 16.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.577 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -72.91 -57.4 4.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.717 ' NE2' HD12 ' A' ' 60' ' ' LEU . 9.4 p80 -37.72 -37.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.555 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.524 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -63.12 -57.73 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.712 ' HB3' HG12 ' A' ' 90' ' ' VAL . 14.2 m-30 -36.26 -56.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.467 HG13 HG11 ' A' ' 90' ' ' VAL . 1.3 mp -41.25 -62.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -44.65 -58.07 3.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -40.7 -51.35 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.713 ' HB3' HG22 ' A' ' 86' ' ' VAL . 58.7 m-85 -66.5 -44.17 83.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.75 -45.01 6.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.629 HD13 ' HB3' ' A' ' 53' ' ' LYS . 97.3 mt -67.05 -57.08 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.573 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.7 tm? -47.07 -49.58 21.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.54 -38.0 42.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -63.34 -25.07 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -67.19 -17.5 68.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 4.9 m-30 -94.81 -51.89 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -14.79 48.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -84.15 -53.68 5.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.483 ' HE2' ' CD1' ' A' ' 45' ' ' PHE . 48.5 mmm -73.18 -62.56 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.91 57.32 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.442 HG12 ' HB3' ' A' ' 82' ' ' LYS . 62.9 t -108.64 111.41 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -73.88 65.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 38.9 tptt -145.0 121.84 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.3 mm -101.31 86.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.708 HG23 ' HD2' ' A' ' 85' ' ' PRO . 42.4 mt -42.15 142.09 1.26 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.708 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.98 -50.46 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.713 HG22 ' HB3' ' A' ' 68' ' ' PHE . 95.7 t 66.61 -68.59 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -49.11 -23.63 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -94.84 -29.4 14.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 86' ' ' VAL . 28.4 mt -79.68 -19.82 48.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.712 HG12 ' HB3' ' A' ' 64' ' ' TYR . 24.1 m -100.69 13.5 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.42 -22.72 20.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 50.01 52.6 25.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.22 11.55 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' ASP . 22.9 t80 63.08 -179.18 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 94' ' ' PHE . 36.7 tt0 67.01 -64.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 94' ' ' PHE . 47.8 m-20 -57.51 -18.08 17.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.616 ' HB3' HG22 ' A' ' 28' ' ' ILE . 5.9 m-80 -95.17 -40.15 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.627 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.0 t80 -71.52 -43.86 65.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -70.11 -5.8 29.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.794 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 8.7 t80 -106.89 -47.1 3.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.742 HG11 HD12 ' A' ' 28' ' ' ILE . 7.5 p -60.52 -44.75 97.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 1.4 pp0? -50.15 -46.02 53.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.574 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 76.8 t90 -63.84 -64.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.794 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -37.29 -48.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -58.86 -60.64 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.87 -58.36 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -55.96 -58.44 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.5 m170 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -59.78 -54.89 40.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.525 ' HE2' HG22 ' A' ' 101' ' ' VAL . 75.3 mmm -65.63 -54.36 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD21 HG12 ' A' ' 28' ' ' ILE . 4.4 mt -39.99 -46.51 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -63.74 -48.22 77.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 30.3 t90 -43.08 -68.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 108.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.1 -60.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' LEU . 71.7 m-20 -42.6 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -38.89 -67.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLU . 61.6 m -39.28 -38.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.53 HD22 ' NE2' ' A' ' 39' ' ' GLN . 43.0 mt -114.11 -131.0 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -145.68 41.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -93.53 -168.61 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.403 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 57.9 t-20 -171.21 43.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.808 HD22 ' HB3' ' A' ' 30' ' ' GLN . 34.6 mt -66.57 153.02 44.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.1 p -117.41 -14.12 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -132.23 142.62 49.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.731 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.7 mm -65.51 -14.56 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -79.95 -8.1 59.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.808 ' HB3' HD22 ' A' ' 25' ' ' LEU . 4.6 mm-40 -70.19 -13.22 62.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -92.29 29.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 31.4 p -91.92 16.06 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 p -104.36 -57.04 2.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.64 48.53 1.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.418 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -117.14 -54.13 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.47 -65.03 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -40.56 -56.41 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.71 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.1 m -45.65 -59.35 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.53 ' NE2' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -47.63 -62.29 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.18 -53.61 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.56 ' HB3' HD11 ' A' ' 49' ' ' ILE . 18.2 mmm -48.27 -64.33 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.87 -41.81 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.358 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -62.9 -42.23 99.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' MET . 86.8 mt -77.5 -58.42 3.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -110.67 110.56 57.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 111.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.21 42.34 5.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.1 p -113.88 -33.78 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.71 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -114.47 -174.21 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.475 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -122.14 60.67 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.656 HD23 HG11 ' A' ' 54' ' ' VAL . 1.2 mt -47.01 -24.71 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.71 39.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.495 ' HB3' HD13 ' A' ' 70' ' ' ILE . 6.4 ttpp -157.98 -45.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.656 HG11 HD23 ' A' ' 51' ' ' LEU . 4.3 p -46.02 156.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -105.96 97.92 7.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.639 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.6 m-85 -88.48 21.68 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -155.8 34.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.17 135.37 38.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' C ' HD23 ' A' ' 60' ' ' LEU . 1.4 mtpt -117.07 -7.94 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.69 HD12 ' NE2' ' A' ' 62' ' ' HIS . 5.9 mt -110.49 161.88 15.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -77.01 -55.86 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.69 ' NE2' HD12 ' A' ' 60' ' ' LEU . 10.7 p80 -38.06 -32.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.452 ' OE2' ' CE1' ' A' ' 62' ' ' HIS . 2.5 mm-40 -70.46 -58.58 3.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 13.1 m-30 -34.21 -48.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.599 HG13 HG11 ' A' ' 90' ' ' VAL . 1.9 mp -45.73 -66.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 67' ' ' ASN . 8.5 mt-30 -43.09 -56.81 3.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' GLN . 1.3 m-20 -39.01 -55.11 1.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.623 ' CD2' HG13 ' A' ' 86' ' ' VAL . 36.1 m-85 -63.44 -46.45 86.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -41.47 -46.54 3.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 96.1 mt -64.61 -57.22 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.557 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -49.16 -52.41 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.539 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -48.74 -33.66 10.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -70.68 -32.47 69.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -57.4 -25.26 54.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.511 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.6 m-30 -85.13 -53.83 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -20.1 7.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -76.98 -59.76 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.45 -54.03 34.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.78 55.3 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 82' ' ' LYS . 75.7 t -121.7 103.03 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -84.1 67.01 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 36.4 tptt -120.37 122.87 41.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 83' ' ' ILE . 4.5 mp -79.31 114.3 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.557 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 14.6 mt -84.73 121.85 74.65 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -74.96 66.35 5.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.927 ' O ' HG22 ' A' ' 90' ' ' VAL . 34.6 t -63.94 -64.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' VAL . 27.4 t70 -38.58 -31.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 91' ' ' LYS . 33.3 mtpt -89.78 -59.71 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.477 HD13 ' CE1' ' A' ' 68' ' ' PHE . 76.2 mt -44.96 -45.98 10.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 86' ' ' VAL . 32.7 m -62.25 -35.43 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 88' ' ' LYS . 14.5 mtmt -75.93 -16.99 59.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 63.52 75.79 0.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 95' ' ' GLN . 9.7 mmmt -92.15 12.64 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ASN . 45.3 t80 56.15 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -44.54 -63.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -23.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.489 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -84.54 -38.73 19.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.539 ' HA ' HG12 ' A' ' 101' ' ' VAL . 3.1 t80 -77.58 -32.71 53.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -80.92 -11.41 59.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.809 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.9 t80 -99.48 -32.9 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' A' ' 98' ' ' PHE . 11.3 p -75.06 -41.23 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 2.3 pt20 -58.47 -26.07 62.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.568 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 38.6 t90 -84.11 -48.21 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.809 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -54.33 -27.73 37.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.52 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 3.3 tmtt? -82.87 -55.27 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -48.04 -54.64 12.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -56.98 -50.6 72.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 104' ' ' PHE . 1.8 m-85 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.2 m80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -57.18 -40.09 76.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.723 ' HE2' HG22 ' A' ' 101' ' ' VAL . 41.4 mmm -81.47 -53.27 6.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.2 mt -42.0 -42.11 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.29 -47.11 83.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 29.1 t90 -46.35 -63.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.52 HG22 HD23 ' A' ' 23' ' ' LEU . 2.3 mp -60.06 -60.8 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' ILE . 39.4 m-20 -38.4 -46.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.41 58.64 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.45 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 59.8 m -156.45 -44.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.733 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -126.35 1.93 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 74.58 60.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -99.19 -156.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -176.13 55.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.714 HD22 ' HB3' ' A' ' 30' ' ' GLN . 20.7 mt -75.57 146.89 40.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.6 p -113.73 -20.9 10.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -137.79 149.51 46.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.797 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.8 mm -63.09 -16.35 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.92 -3.93 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.714 ' HB3' HD22 ' A' ' 25' ' ' LEU . 8.6 mm-40 -73.18 -8.09 54.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -100.57 24.34 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.4 p -80.05 -14.34 58.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 108.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -79.17 -53.9 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.75 44.66 4.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.563 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -112.4 -49.26 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.35 -49.93 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -55.27 -50.86 68.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.767 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.2 m -49.87 -62.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.348 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.571 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -48.56 -52.63 21.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.474 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -51.92 -44.11 63.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.609 ' HB3' HD11 ' A' ' 49' ' ' ILE . 6.6 mmm -58.77 -62.17 2.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.11 -42.53 4.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.01 -39.33 91.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' MET . 98.3 mt -79.83 -58.79 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.441 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 78.1 m-85 -116.26 108.0 46.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 111.08 3.24 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.76 24.96 8.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.409 ' C ' HD13 ' A' ' 49' ' ' ILE . 82.0 p -100.54 -34.8 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.048 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.767 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -117.11 -178.14 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -117.3 60.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.643 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -40.66 -29.46 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -89.19 44.85 1.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.534 ' HB3' HD13 ' A' ' 70' ' ' ILE . 5.2 ttmt -161.03 -43.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.586 HG11 ' CE1' ' A' ' 56' ' ' PHE . 11.0 p -49.59 150.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 13.7 mmtt -108.5 90.23 3.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.643 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 6.5 m-30 -70.05 -34.31 73.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -95.43 43.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -89.49 129.15 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' C ' HD13 ' A' ' 60' ' ' LEU . 2.9 ttpt -113.55 -32.07 6.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.83 157.56 25.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -69.52 -53.69 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 17.1 p80 -39.66 -37.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.609 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.625 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.0 OUTLIER -63.79 -57.65 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.515 ' HB3' HG12 ' A' ' 90' ' ' VAL . 9.1 m-30 -39.6 -42.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.485 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 1.9 mp -52.96 -68.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' ASN . 5.2 mt-30 -45.17 -53.39 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.352 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.9 m-20 -39.21 -50.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.548 ' CD2' HG13 ' A' ' 86' ' ' VAL . 22.7 m-85 -69.55 -49.12 57.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -40.59 -43.41 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.534 HD13 ' HB3' ' A' ' 53' ' ' LYS . 94.0 mt -67.64 -56.21 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.542 HD11 ' HZ ' ' A' ' 104' ' ' PHE . 1.6 tm? -48.4 -50.74 29.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -48.55 -37.36 17.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -62.54 -30.68 71.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -62.5 -22.59 63.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.482 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.2 m-30 -89.5 -51.9 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -14.86 53.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -83.75 -51.08 7.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.441 ' CE ' ' CD1' ' A' ' 45' ' ' PHE . 74.4 mmm -76.47 -52.94 8.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.67 62.35 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.0 t -130.75 97.43 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.75 66.49 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.572 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 41.7 tptt -114.43 134.91 54.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.5 mm -90.24 112.03 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 29.7 mt -86.89 118.37 69.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -74.97 65.19 6.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.758 ' O ' HG22 ' A' ' 90' ' ' VAL . 45.6 t -60.91 -67.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 86' ' ' VAL . 19.1 t0 -35.75 -36.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.3 mtpp -84.44 -60.93 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.546 HD13 ' CE1' ' A' ' 68' ' ' PHE . 77.1 mt -43.54 -50.58 7.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 86' ' ' VAL . 30.0 m -58.77 -36.9 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' LYS . 3.8 mmtt -69.45 -21.66 63.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.79 79.23 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -97.85 -3.0 39.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 t80 67.88 -62.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' LYS . 6.0 tt0 -61.69 -48.93 78.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.85 -11.83 49.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.478 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -93.61 -36.17 12.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.489 ' HB2' HG21 ' A' ' 28' ' ' ILE . 2.1 t80 -77.15 -43.09 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -72.1 -13.6 61.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.803 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 19.0 t80 -92.88 -46.73 7.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.723 HG22 ' HE2' ' A' ' 13' ' ' MET . 11.5 p -63.56 -53.43 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.521 ' N ' HG13 ' A' ' 101' ' ' VAL . 7.2 pt20 -44.16 -26.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 46.1 t90 -83.22 -50.65 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 108.0 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.803 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -50.71 -43.21 57.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.535 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 5.5 tttm -62.92 -57.17 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -46.29 -58.49 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -52.27 -55.57 20.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 43.7 t60 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.93 -37.76 85.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.518 ' HE2' HG22 ' A' ' 101' ' ' VAL . 45.7 mmm -87.11 -45.61 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.649 HD21 HG12 ' A' ' 28' ' ' ILE . 5.1 mt -51.11 -43.89 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.57 98.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.457 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 20.6 t90 -47.53 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.56 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.6 mp -50.75 -56.22 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -42.06 -46.75 4.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.06 56.02 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -153.23 -44.15 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -130.14 8.28 5.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 66.68 68.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.619 ' N ' HD22 ' A' ' 23' ' ' LEU . 1.2 mm? -102.99 -157.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -177.28 65.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.726 HD22 ' HB3' ' A' ' 30' ' ' GLN . 24.9 mt -96.01 148.94 22.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -115.18 -16.14 11.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -134.96 143.88 47.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.786 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.8 mm -64.33 -17.05 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.61 1.52 25.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.726 ' HB3' HD22 ' A' ' 25' ' ' LEU . 9.8 mm-40 -80.47 -4.02 52.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -101.46 32.26 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.56 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 13.8 p -93.67 32.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -117.4 -64.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.85 43.41 1.54 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.0 -52.36 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.736 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.09 -58.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.4 ' CE1' ' HE1' ' A' ' 100' ' ' PHE . 45.1 m-85 -48.82 -60.52 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.659 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.5 m -42.04 -65.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.617 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -43.59 -44.55 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -46.12 88.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.589 ' HB3' HD11 ' A' ' 49' ' ' ILE . 18.1 mmm -58.27 -62.71 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' MET . 2.3 t70 -39.53 -39.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtp -68.38 -46.76 69.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' MET . 52.8 mt -77.18 -65.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' MET . 74.7 m-85 -100.58 108.01 51.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 134.02 17.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.87 39.92 96.89 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.2 p -112.66 -30.88 6.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 0.776 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.659 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -113.91 -166.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.495 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -129.58 56.22 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.679 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -40.69 -29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -89.11 42.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.568 ' HB3' HD13 ' A' ' 70' ' ' ILE . 7.0 ttmt -158.27 -46.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.495 ' CG1' ' CE1' ' A' ' 56' ' ' PHE . 5.6 p -46.39 158.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.47 104.39 13.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 4.5 m-30 -91.64 27.51 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -156.93 24.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.704 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -64.55 123.92 20.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.601 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -111.97 -8.2 14.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.743 HD12 ' NE2' ' A' ' 62' ' ' HIS . 8.0 mt -113.55 162.95 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.56 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.5 tt0 -70.28 -56.11 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.743 ' NE2' HD12 ' A' ' 60' ' ' LEU . 10.4 p80 -39.67 -37.0 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.704 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.8 mm-40 -63.14 -59.76 4.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.624 ' HB3' HG12 ' A' ' 90' ' ' VAL . 12.9 m-30 -37.74 -48.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.623 HG13 HG11 ' A' ' 90' ' ' VAL . 1.2 mp -46.8 -66.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -44.64 -54.5 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.91 -49.1 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.669 ' HB3' HG22 ' A' ' 86' ' ' VAL . 28.2 m-85 -70.1 -45.36 67.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.67 -44.86 6.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.568 HD13 ' HB3' ' A' ' 53' ' ' LYS . 98.0 mt -65.49 -55.13 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 0.9 OUTLIER -45.68 -58.47 3.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.506 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -38.32 -56.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.24 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -38.63 -45.5 1.99 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.2 m-30 -65.18 -55.54 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.52 58.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -159.67 -44.33 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.9 mmm -92.67 -61.87 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 163.21 66.07 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.681 HG13 ' CZ ' ' A' ' 107' ' ' PHE . 6.4 t -140.99 116.27 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.8 68.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 44.5 tptt -122.15 134.54 54.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.1 mm -97.1 103.79 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.0 HG22 HG23 ' A' ' 86' ' ' VAL . 37.9 mt -69.81 143.03 91.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.743 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.99 -58.18 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 1.0 HG23 HG22 ' A' ' 84' ' ' ILE . 67.7 t 64.52 -76.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' PRO . 57.1 t0 -45.69 -25.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 86' ' ' VAL . 4.8 mtpp -89.72 -38.27 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.51 HD13 ' CE1' ' A' ' 68' ' ' PHE . 15.0 mt -69.13 -52.69 25.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.624 HG12 ' HB3' ' A' ' 64' ' ' TYR . 19.4 m -59.13 -16.41 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -91.31 -10.41 41.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 46.75 75.74 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.2 OUTLIER -102.92 7.55 39.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.472 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 61.8 t80 63.61 -65.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 93' ' ' LYS . 6.7 tm0? -51.03 -61.33 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.57 -10.8 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.464 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -88.7 -30.94 18.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.504 ' HA ' HG12 ' A' ' 101' ' ' VAL . 4.0 t80 -95.91 -36.06 11.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -72.38 -4.3 29.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.799 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 14.8 t80 -102.74 -43.19 5.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 102' ' ' GLN . 14.2 p -66.02 -54.96 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.558 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -40.38 -47.45 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.247 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 61.4 t90 -62.09 -55.53 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 108.042 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.799 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -45.6 -56.61 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.471 ' HD3' ' CE ' ' A' ' 13' ' ' MET . 17.4 tttm -50.93 -61.8 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.33 -56.63 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.681 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 64.2 t80 -56.8 -55.4 34.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -94.22 -32.86 13.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.426 ' CE ' ' HA ' ' A' ' 102' ' ' GLN . 33.9 mmm -90.5 -35.45 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.39 -43.58 44.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.32 82.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.544 ' CZ2' ' CZ ' ' A' ' 40' ' ' PHE . 38.4 t90 -45.44 -59.23 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.483 HG22 HD23 ' A' ' 23' ' ' LEU . 2.3 mp -61.91 -61.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' ILE . 56.7 m-20 -39.19 -42.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.33 61.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.4 m -161.71 -43.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.768 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -125.55 2.42 7.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 71.26 60.99 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.768 HD21 ' HB2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -98.62 -157.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -176.02 56.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 30' ' ' GLN . 40.8 mt -80.43 148.41 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -111.57 -17.32 13.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -140.65 162.38 35.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.798 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.5 mm -74.37 -26.39 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -13.47 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.643 ' HB3' HD22 ' A' ' 25' ' ' LEU . 6.0 mm-40 -62.94 -14.17 43.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.798 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -94.09 30.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.482 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 26.4 p -94.12 31.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.273 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 p -123.22 -61.0 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.77 52.66 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.042 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 56' ' ' PHE . . . -123.93 -53.85 1.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.88 -56.1 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -50.48 -59.08 4.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.751 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -43.09 -61.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.624 ' HB3' HD22 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -47.92 -47.51 32.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.544 ' CZ ' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -58.29 -40.21 81.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.571 ' HB3' HD11 ' A' ' 49' ' ' ILE . 15.9 mmm -63.44 -56.63 14.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -48.06 -42.22 28.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -24.07 66.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' MET . 55.2 mt -96.75 -57.17 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.417 ' CD2' ' CE ' ' A' ' 78' ' ' MET . 57.9 m-85 -121.94 109.2 34.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.32 3.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.16 -20.88 20.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.9 p -56.17 -35.24 66.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.751 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -118.89 -167.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.56 68.31 1.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.706 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -49.63 -23.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.509 ' CE ' ' HA ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -91.8 42.43 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -160.08 -44.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.548 HG11 HD23 ' A' ' 51' ' ' LEU . 7.4 p -48.79 154.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -104.62 101.81 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.706 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.4 m-30 -90.52 27.66 1.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -157.15 24.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.583 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -67.02 124.98 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.424 ' C ' HD23 ' A' ' 60' ' ' LEU . 3.1 mmmm -109.49 -16.2 14.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.775 HD12 ' NE2' ' A' ' 62' ' ' HIS . 5.3 mt -100.87 162.23 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -74.67 -55.13 6.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.775 ' NE2' HD12 ' A' ' 60' ' ' LEU . 11.4 p80 -39.31 -34.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.583 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.8 mm-40 -68.21 -55.32 12.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.764 ' HB3' HG12 ' A' ' 90' ' ' VAL . 13.4 m-30 -38.02 -43.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.543 HG13 HG11 ' A' ' 90' ' ' VAL . 2.0 mp -54.3 -69.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -40.19 -54.93 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -43.1 -53.13 5.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' HB3' HG22 ' A' ' 86' ' ' VAL . 26.0 m-85 -65.57 -42.7 91.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -45.25 -46.08 12.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.482 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 97.2 mt -64.63 -56.72 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.581 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -49.25 -48.77 45.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.4 -33.75 4.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -70.02 -37.86 75.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -52.63 -20.19 7.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.486 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 4.9 m-30 -89.5 -64.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.98 -22.42 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -77.56 -37.73 50.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.417 ' CE ' ' CD2' ' A' ' 45' ' ' PHE . 3.9 mmt -88.33 -51.55 5.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.44 56.77 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.519 HG12 ' HB3' ' A' ' 82' ' ' LYS . 79.5 t -112.63 118.21 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -82.25 64.35 6.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 22.6 tptt -138.03 120.62 16.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.2 mm -94.52 85.82 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.871 HG22 HG23 ' A' ' 86' ' ' VAL . 42.1 mt -43.25 142.82 1.52 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.727 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.96 -56.55 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.871 HG23 HG22 ' A' ' 84' ' ' ILE . 65.5 t 64.36 -77.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -44.39 -26.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 86' ' ' VAL . 6.9 mtpp -89.3 -39.64 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' VAL . 15.3 mt -68.73 -51.99 35.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.764 HG12 ' HB3' ' A' ' 64' ' ' TYR . 26.5 m -58.66 -16.71 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' GLY . 21.8 mtmt -92.1 22.93 4.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' LYS . . . 37.77 52.56 1.96 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 97' ' ' ASN . 6.8 mtmt -97.78 82.23 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 98' ' ' PHE . 61.9 t80 -37.54 -46.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.0 84.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -86.05 4.08 39.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.531 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -105.33 -31.11 9.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.611 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.6 t80 -90.29 -36.45 14.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.01 -7.48 53.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 4.3 t80 -102.9 -37.42 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.611 HG12 ' HA ' ' A' ' 98' ' ' PHE . 9.3 p -74.41 -39.59 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.426 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 1.7 pt20 -55.38 -26.73 43.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 33.8 t90 -84.46 -50.91 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.802 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -45.35 -55.61 5.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -52.7 -55.28 23.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.1 -63.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -50.47 -54.25 23.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.2 m170 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -54.87 -43.87 73.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.598 ' HB2' HD11 ' A' ' 28' ' ' ILE . 65.5 mmm -78.08 -52.01 9.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.893 HD21 HG12 ' A' ' 28' ' ' ILE . 4.1 mt -47.23 -41.76 19.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -66.0 -42.69 89.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.486 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 20.2 t90 -44.93 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.418 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.3 mp -50.61 -58.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' ILE . 78.9 m-20 -39.73 -44.89 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -97.3 61.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -159.19 -46.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.788 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -124.47 -0.21 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER 75.91 68.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.343 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -108.28 -156.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -178.14 53.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 30' ' ' GLN . 20.6 mt -82.52 147.2 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.0 p -112.03 -20.44 11.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -128.86 133.56 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.893 HG12 HD21 ' A' ' 14' ' ' LEU . 4.4 mm -54.07 -28.77 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -13.26 29.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.44 ' HB3' HD22 ' A' ' 25' ' ' LEU . 18.2 mm-40 -61.49 -15.93 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -94.17 23.97 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.0 p -70.89 -23.69 62.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 108.325 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -72.43 -52.86 14.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.61 53.07 2.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HB1' ' CE1' ' A' ' 56' ' ' PHE . . . -119.6 -48.06 2.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.73 -48.56 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -55.8 -52.02 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.74 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -49.82 -61.45 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 108.341 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.593 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -48.08 -54.35 13.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.471 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -48.88 -46.9 43.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.577 ' HB3' HD11 ' A' ' 49' ' ' ILE . 12.3 mmm -57.33 -63.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.23 -31.29 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.13 -34.59 66.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' MET . 92.6 mt -88.29 -57.73 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' MET . 40.8 m-85 -114.6 105.36 53.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.61 5.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.52 25.51 13.58 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.485 1.115 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.7 p -104.81 -32.71 8.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 0.791 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.74 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -117.6 -167.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -131.31 64.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.593 HD21 ' HZ ' ' A' ' 56' ' ' PHE . 1.7 mt -46.59 -25.25 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.61 42.57 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.689 ' HB3' HD13 ' A' ' 70' ' ' ILE . 3.2 ttpt -159.47 -44.95 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.573 HG11 HD23 ' A' ' 51' ' ' LEU . 7.7 p -47.94 151.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -103.28 104.61 14.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.593 ' HZ ' HD21 ' A' ' 51' ' ' LEU . 4.5 m-30 -92.02 16.69 10.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -145.14 23.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -67.78 126.35 29.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -18.47 12.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.776 HD12 ' NE2' ' A' ' 62' ' ' HIS . 6.7 mt -99.18 162.88 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.8 tt0 -74.29 -55.15 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.776 ' NE2' HD12 ' A' ' 60' ' ' LEU . 11.3 p80 -39.51 -33.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.579 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -69.4 -56.1 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.646 ' HB3' HG12 ' A' ' 90' ' ' VAL . 12.7 m-30 -37.17 -49.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.541 HG13 HG11 ' A' ' 90' ' ' VAL . 1.6 mp -47.61 -61.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -45.3 -55.7 5.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -41.37 -51.29 3.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.584 ' HB3' HG22 ' A' ' 86' ' ' VAL . 44.0 m-85 -67.17 -46.02 75.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -42.25 -46.94 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.689 HD13 ' HB3' ' A' ' 53' ' ' LYS . 94.7 mt -65.51 -57.06 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.8 tm? -46.6 -54.83 8.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.54 -58.87 2.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.78 -33.83 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -54.23 -34.52 53.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.5 m-30 -77.27 -46.68 22.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -19.52 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -79.46 -46.71 16.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.453 ' HE2' ' CD2' ' A' ' 45' ' ' PHE . 60.5 mmm -81.64 -66.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 146.53 56.84 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.411 HG12 ' HB3' ' A' ' 82' ' ' LYS . 96.3 t -109.7 111.24 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.87 69.2 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 48.7 tptt -142.09 122.16 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.5 mt -99.48 87.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.775 HG22 HG23 ' A' ' 86' ' ' VAL . 22.2 mt -48.38 139.75 10.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.02 -51.76 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.775 HG23 HG22 ' A' ' 84' ' ' ILE . 95.2 t 65.94 -71.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 1.8 t0 -48.27 -23.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 86' ' ' VAL . 22.4 mtpt -90.97 -35.78 14.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 68' ' ' PHE . 24.3 mt -74.28 -54.76 7.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.646 HG12 ' HB3' ' A' ' 64' ' ' TYR . 22.7 m -56.34 -18.57 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 12.7 mmmt -77.43 -14.84 59.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.28 35.58 37.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.39 93.57 8.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -45.62 -44.95 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.89 -60.78 3.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -57.35 -18.04 15.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.446 ' HB3' HG22 ' A' ' 28' ' ' ILE . 3.9 m-80 -87.47 -49.55 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.621 ' HA ' HG12 ' A' ' 101' ' ' VAL . 38.1 t80 -65.26 -33.28 75.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -80.25 -8.81 59.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.803 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.2 t80 -104.69 -27.28 11.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.791 HG11 HD12 ' A' ' 28' ' ' ILE . 14.2 p -80.62 -47.09 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.425 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.3 OUTLIER -52.39 -21.37 3.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 64.9 t90 -90.45 -58.21 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.03 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.803 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -43.1 -33.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.486 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 4.5 tmtt? -75.57 -50.87 14.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.08 -58.31 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -54.44 -47.89 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 104' ' ' PHE . 2.1 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -56.08 -52.18 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.631 ' HE2' HG22 ' A' ' 101' ' ' VAL . 74.7 mmm -73.53 -53.23 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.606 HD21 HG12 ' A' ' 28' ' ' ILE . 5.0 mt -39.62 -46.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.214 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -65.08 -46.85 79.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.545 ' CH2' ' HA ' ' A' ' 105' ' ' LYS . 29.9 t90 -44.15 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mp -50.52 -59.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 21' ' ' LEU . 86.4 m-20 -43.41 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -40.7 -68.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 40' ' ' PHE . 66.9 m -38.28 -38.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.464 HD22 ' CD ' ' A' ' 39' ' ' GLN . 54.4 mt -114.52 -130.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.479 ' H ' HD22 ' A' ' 23' ' ' LEU . 3.9 mm-40 -145.68 43.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.479 HD22 ' H ' ' A' ' 22' ' ' GLN . 2.9 mm? -99.84 -167.77 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.405 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 26.5 t30 -166.8 39.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.476 HD22 ' HB3' ' A' ' 30' ' ' GLN . 20.9 mt -57.44 143.6 39.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.438 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.5 t -102.75 -26.1 13.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -127.86 163.87 23.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.734 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.4 mm -74.68 -32.05 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -15.29 22.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.476 ' HB3' HD22 ' A' ' 25' ' ' LEU . 12.1 mm-40 -61.92 -13.99 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -91.9 29.2 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.3 p -92.86 19.28 7.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 108.279 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 p -110.21 -59.0 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.01 47.77 2.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.562 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -118.48 -54.3 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.82 -58.42 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -45.89 -50.34 14.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.703 ' SG ' HG21 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -50.02 -54.4 20.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 108.276 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.464 ' CD ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -51.66 -58.61 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -44.01 -48.76 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.556 ' HB3' HD11 ' A' ' 49' ' ' ILE . 24.1 mmm -55.95 -60.09 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.83 -43.42 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.8 ttp -61.33 -37.26 82.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' A' ' 108' ' ' PHE . 52.6 mt -84.17 -67.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' MET . 35.2 m-85 -111.15 105.93 57.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 121.67 6.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.91 -21.53 37.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.3 p -58.22 -31.79 67.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.703 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -117.92 -171.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -128.63 61.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.646 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -43.33 -27.32 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.32 42.4 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HB3' HD13 ' A' ' 70' ' ' ILE . 15.2 ttpt -160.88 -44.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.523 HG11 HD23 ' A' ' 51' ' ' LEU . 6.7 p -47.31 146.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 4.2 mmtp -103.89 93.17 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.646 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 4.0 m-30 -73.16 -34.93 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.02 40.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' A' ' 55' ' ' LYS . . . -86.39 131.38 34.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.432 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -116.88 -30.96 5.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.86 153.42 27.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.561 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -66.51 -56.7 9.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.655 ' HA ' HD13 ' A' ' 65' ' ' ILE . 13.4 p80 -37.72 -38.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.593 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.457 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -62.09 -59.61 4.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 12.2 m-30 -38.05 -50.81 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.655 HD13 ' HA ' ' A' ' 62' ' ' HIS . 3.4 mp -42.84 -63.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ASN . 9.2 mt-30 -51.77 -55.09 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 66' ' ' GLN . 1.5 m-20 -37.65 -46.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.613 ' CD2' HG13 ' A' ' 86' ' ' VAL . 37.3 m-85 -72.57 -47.04 51.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -41.39 -42.47 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.606 HG22 HG22 ' A' ' 49' ' ' ILE . 96.0 mt -68.25 -55.62 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.9 tm? -51.96 -54.36 30.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.643 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -46.91 -40.18 13.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -64.18 -33.47 75.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -54.35 -31.51 50.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.477 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.3 m-30 -77.78 -53.77 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -26.13 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -72.56 -45.0 61.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.5 mmt -82.0 -56.36 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 75' ' ' PHE . . . 138.9 56.92 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.413 HG12 ' HB3' ' A' ' 82' ' ' LYS . 76.6 t -124.97 101.17 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.96 65.3 6.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 45.6 tptt -116.71 121.3 41.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.6 mm -78.91 114.8 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.643 HD12 ' HG2' ' A' ' 72' ' ' GLN . 16.8 mt -87.14 122.09 71.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.04 65.93 6.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.526 1.803 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.843 ' O ' HG22 ' A' ' 90' ' ' VAL . 55.9 t -63.08 -64.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -38.91 -30.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.0 mtpp -90.45 -60.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 100' ' ' PHE . 81.3 mt -44.21 -45.17 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 86' ' ' VAL . 31.6 m -63.84 -36.18 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 88' ' ' LYS . 13.8 mttp -66.33 -24.78 66.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.42 100.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.81 27.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 96' ' ' ASP . 39.4 t80 53.08 177.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.424 ' N ' ' CD2' ' A' ' 94' ' ' PHE . 0.3 OUTLIER 65.56 -69.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.4 m-20 -61.64 -16.27 47.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.436 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 1.6 m-80 -90.43 -37.1 14.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.526 ' HA ' HG12 ' A' ' 101' ' ' VAL . 1.8 t80 -80.42 -40.97 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.07 -7.53 36.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.816 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 13.8 t80 -100.3 -50.1 4.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.631 HG22 ' HE2' ' A' ' 13' ' ' MET . 8.7 p -58.8 -55.62 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.546 ' N ' HG13 ' A' ' 101' ' ' VAL . 1.4 pp0? -39.54 -47.82 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 64.9 t90 -62.43 -55.77 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.816 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -46.82 -51.63 16.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.545 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 3.6 tmtt? -55.21 -64.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.56 -55.4 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -55.01 -50.23 69.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.534 ' CD2' HD11 ' A' ' 44' ' ' LEU . 1.5 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.77 -54.95 40.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.426 ' O ' HD12 ' A' ' 17' ' ' ILE . 78.1 mmm -66.34 -52.46 46.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.482 ' N ' HD23 ' A' ' 14' ' ' LEU . 5.1 mt -43.55 -42.96 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.74 91.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.523 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 42.4 t90 -49.73 -48.93 49.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.677 HG23 HD12 ' A' ' 21' ' ' LEU . 2.9 mp -74.22 -62.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 26.3 m-20 -40.42 -60.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.95 53.31 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.5 m -172.25 -40.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.801 HD22 ' HB3' ' A' ' 39' ' ' GLN . 80.5 mt -115.71 -1.01 12.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 23' ' ' LEU . 2.2 mt-30 65.76 11.22 7.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD23 ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -53.48 -172.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -158.41 72.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 30' ' ' GLN . 16.2 mt -112.68 141.52 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.831 HG23 ' HG3' ' A' ' 27' ' ' LYS . 1.7 t -101.62 -27.84 12.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.831 ' HG3' HG23 ' A' ' 26' ' ' THR . 2.5 mtpm? -121.89 165.34 16.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.697 HD12 HG11 ' A' ' 101' ' ' VAL . 3.9 mm -75.63 -38.81 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.03 -20.01 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.716 ' HB3' HD22 ' A' ' 25' ' ' LEU . 10.4 mm-40 -58.56 -17.02 18.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -92.59 29.72 1.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.481 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 30.8 p -93.47 20.53 7.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p -108.47 -61.97 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.6 48.72 1.01 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.23 -54.88 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.65 -63.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -41.27 -55.29 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.689 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.1 m -46.11 -60.19 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.801 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.39 -59.07 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.495 ' CE2' ' CZ3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -44.16 -53.4 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.525 ' HB3' HD11 ' A' ' 49' ' ' ILE . 22.5 mmm -52.49 -61.18 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' MET . 1.2 t70 -39.63 -43.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 ttm -62.62 -47.39 83.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.453 HD11 ' CD2' ' A' ' 108' ' ' PHE . 83.0 mt -72.27 -64.79 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' MET . 53.0 m-85 -115.88 103.72 53.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.43 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.55 -27.54 12.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.2 p -55.36 -29.88 59.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 0.756 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.689 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -118.81 -170.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -133.9 67.55 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.763 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -50.18 -22.84 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.78 39.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -157.85 -45.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.651 HG11 HD23 ' A' ' 51' ' ' LEU . 5.6 p -46.09 153.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -102.73 99.05 8.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.763 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.1 m-85 -88.54 32.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -168.03 30.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.233 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -74.76 132.71 41.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.479 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -111.51 -31.38 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.832 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.52 155.34 23.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -67.82 -54.02 22.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 16.2 p80 -39.81 -36.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.702 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -64.23 -53.43 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.763 ' HB3' HG12 ' A' ' 90' ' ' VAL . 8.7 m-30 -43.55 -41.35 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.549 HG13 HG11 ' A' ' 90' ' ' VAL . 1.1 mp -56.5 -69.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.487 ' N ' HG22 ' A' ' 65' ' ' ILE . 15.4 mt-30 -42.47 -52.96 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -42.71 -51.9 5.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' HB3' HG22 ' A' ' 86' ' ' VAL . 23.5 m-85 -66.96 -44.0 81.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -44.0 -44.07 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.9 mt -66.2 -57.86 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.8 tm? -48.9 -46.89 43.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.3 -46.38 25.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.99 66.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -58.72 -20.5 47.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.49 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.3 m-30 -94.18 -58.13 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.95 -28.52 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 72.7 mtt-85 -72.75 -39.39 66.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.9 mmt -85.61 -67.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 147.91 52.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.476 HG12 ' HB3' ' A' ' 82' ' ' LYS . 51.4 t -108.29 119.71 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.48 66.86 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 23.1 tptt -141.08 111.5 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.4 mm -90.2 84.64 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.869 HG22 HG23 ' A' ' 86' ' ' VAL . 59.3 mt -41.94 139.83 1.6 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.2 Cg_endo -75.02 -52.51 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.869 HG23 HG22 ' A' ' 84' ' ' ILE . 98.7 t 65.31 -73.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 43.4 t0 -45.4 -25.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 86' ' ' VAL . 3.5 mtpp -88.83 -39.12 14.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' VAL . 14.9 mt -70.43 -55.71 8.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.763 HG12 ' HB3' ' A' ' 64' ' ' TYR . 24.1 m -54.65 -30.08 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 8.1 mmmt -72.9 -23.26 60.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.04 70.7 1.02 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -102.46 12.63 36.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 97' ' ' ASN . 46.9 t80 57.51 -80.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' LYS . 54.7 tt0 -46.3 -55.52 7.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -52.79 -21.14 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.508 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -91.47 -56.5 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.64 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.6 t80 -57.04 -39.09 74.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.422 ' HG3' ' CG ' ' A' ' 95' ' ' GLN . 30.7 mm-40 -76.03 -4.75 43.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.0 t80 -108.1 -32.87 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.697 HG11 HD12 ' A' ' 28' ' ' ILE . 14.5 p -76.99 -44.06 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.6 pt20 -55.98 -23.37 32.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 28.2 t90 -87.81 -44.23 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.044 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -56.6 -25.56 53.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 5.2 tmtt? -85.24 -54.12 4.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -51.75 25.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -56.41 -54.94 39.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.453 ' CD2' HD11 ' A' ' 44' ' ' LEU . 1.7 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -54.83 -52.29 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.465 ' HB2' HD11 ' A' ' 28' ' ' ILE . 85.5 mmm -70.5 -53.25 16.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.543 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.1 mt -42.53 -42.45 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.16 90.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.523 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 26.7 t90 -46.16 -77.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.596 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.1 mp -46.95 -53.91 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -43.9 -46.3 7.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.63 59.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -157.37 -44.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.963 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.781 ' HB2' HD21 ' A' ' 23' ' ' LEU . 1.3 mt -128.99 4.36 5.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.449 ' C ' HD22 ' A' ' 23' ' ' LEU . 0.7 OUTLIER 70.39 71.71 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.781 HD21 ' HB2' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -107.24 -159.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -176.9 68.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.702 HD22 ' HB3' ' A' ' 30' ' ' GLN . 58.0 mt -98.0 145.09 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.922 HG23 ' HG3' ' A' ' 27' ' ' LYS . 9.5 t -105.89 -21.88 13.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.922 ' HG3' HG23 ' A' ' 26' ' ' THR . 45.1 mtpt -128.96 158.4 38.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.763 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.2 mm -74.62 -28.92 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -66.57 -9.88 39.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.702 ' HB3' HD22 ' A' ' 25' ' ' LEU . 12.8 mm-40 -66.31 -10.7 45.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -93.44 27.14 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.5 p -94.47 32.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 108.336 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 p -116.87 -49.81 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.13 49.05 3.62 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' ALA . . . -123.74 -57.31 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -38.58 -56.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -49.64 -56.82 8.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.756 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -44.78 -68.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.747 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -41.0 -53.26 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -49.21 58.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.635 ' HB3' HD11 ' A' ' 49' ' ' ILE . 14.7 mmm -54.34 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -44.02 -33.08 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -72.38 -40.19 67.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' MET . 94.2 mt -83.98 -64.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' MET . 82.9 m-85 -101.78 109.82 60.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.3 7.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.08 40.45 13.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.482 ' C ' HD13 ' A' ' 49' ' ' ILE . 22.2 p -112.6 -34.1 5.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.013 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.756 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -120.65 -176.99 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -122.25 66.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.654 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.3 mt -46.4 -25.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' O ' ' CD ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.47 41.43 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -160.58 -44.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.635 HG11 HD23 ' A' ' 51' ' ' LEU . 5.8 p -47.15 153.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -104.09 100.6 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.654 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.1 m-85 -89.76 36.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -172.09 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.693 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -71.07 131.4 43.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -116.48 -7.09 11.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.783 HD12 ' NE2' ' A' ' 62' ' ' HIS . 6.9 mt -114.66 154.42 28.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 mt-10 -65.41 -54.23 31.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.783 ' NE2' HD12 ' A' ' 60' ' ' LEU . 17.7 p80 -39.75 -33.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.618 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.693 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -68.87 -60.22 2.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.68 ' HB3' HG12 ' A' ' 90' ' ' VAL . 14.2 m-30 -37.01 -42.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 66' ' ' GLN . 1.1 mp -53.33 -72.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.532 ' N ' HG22 ' A' ' 65' ' ' ILE . 15.9 mt-30 -42.33 -54.11 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' GLN . 3.0 m-20 -39.92 -53.36 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CD2' HG13 ' A' ' 86' ' ' VAL . 14.0 m-85 -66.49 -45.17 80.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -42.89 -43.98 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.673 HG22 HG22 ' A' ' 49' ' ' ILE . 95.0 mt -66.54 -55.21 19.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.537 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -50.42 -52.44 37.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.414 ' NE2' HG13 ' A' ' 84' ' ' ILE . 2.5 tp60 -50.71 -37.98 44.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -65.92 -22.66 66.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -71.19 -17.53 75.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.48 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.2 m-30 -89.65 -49.27 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -36.57 82.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -56.84 -50.68 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.4 mmm -79.42 -66.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 156.83 65.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.426 ' HB ' ' CB ' ' A' ' 75' ' ' PHE . 78.1 t -135.28 113.38 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -95.49 67.0 2.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 43.4 tptt -117.1 123.91 47.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.8 mm -79.15 109.82 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.537 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 17.9 mt -83.49 118.63 72.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -75.03 65.91 6.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.905 ' O ' HG22 ' A' ' 90' ' ' VAL . 39.2 t -64.24 -63.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' VAL . 43.6 t0 -39.32 -30.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 91' ' ' LYS . 24.5 mtpt -90.96 -59.49 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.506 HD13 ' CE1' ' A' ' 68' ' ' PHE . 73.5 mt -44.32 -42.97 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.905 HG22 ' O ' ' A' ' 86' ' ' VAL . 35.3 m -68.19 -35.41 71.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 88' ' ' LYS . 9.2 mtpt -71.96 -15.14 62.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.3 64.31 2.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 96' ' ' ASP . 14.7 mmtt -99.52 84.26 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -37.88 -34.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.461 ' CG ' ' OE2' ' A' ' 99' ' ' GLU . 27.8 tt0 -70.12 -50.29 42.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.448 ' OD2' ' CB ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -85.21 9.71 14.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.518 ' HB3' HG22 ' A' ' 28' ' ' ILE . 1.4 m-80 -107.51 -31.5 8.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.49 ' HA ' HG12 ' A' ' 101' ' ' VAL . 3.8 t80 -94.69 -32.66 13.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.461 ' OE2' ' CG ' ' A' ' 95' ' ' GLN . 41.9 mt-10 -80.7 -11.13 59.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.806 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 1.3 t80 -97.22 -33.48 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 98' ' ' PHE . 8.4 p -77.02 -36.96 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 9.8 pt20 -60.8 -29.29 69.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 21.9 t90 -82.17 -45.69 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 107.988 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.806 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -52.53 -44.27 65.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 13.1 tttt -61.96 -60.42 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -60.23 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -53.4 -46.43 69.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -53.57 -60.28 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.547 ' HE2' HG22 ' A' ' 101' ' ' VAL . 82.5 mmm -63.15 -54.19 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 14' ' ' LEU . 5.0 mt -40.82 -44.76 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.79 -49.62 77.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 38.5 t90 -46.35 -59.81 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.04 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.48 HG22 HD23 ' A' ' 23' ' ' LEU . 3.5 mp -61.19 -59.91 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -40.28 -45.22 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 55.12 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -155.98 -44.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.73 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -131.32 7.86 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 64.9 46.72 2.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.259 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.605 HD21 HD12 ' A' ' 21' ' ' LEU . 1.9 mm? -67.23 -177.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.5 54.16 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.805 HD22 ' HB3' ' A' ' 30' ' ' GLN . 24.1 mt -99.18 145.46 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.4 p -113.87 -22.59 10.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.438 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -127.62 165.85 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.746 ' O ' HD12 ' A' ' 31' ' ' LEU . 5.7 mm -74.93 -31.72 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -18.15 57.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.805 ' HB3' HD22 ' A' ' 25' ' ' LEU . 14.9 mm-40 -60.42 -15.2 24.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -93.06 28.74 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.43 -2.28 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 p -85.5 -63.3 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.7 45.56 1.63 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.565 1.165 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HB1' ' CE1' ' A' ' 56' ' ' PHE . . . -115.68 -53.4 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -40.1 -58.74 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -45.86 -54.19 8.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.763 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.2 m -50.57 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.73 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -41.49 -46.78 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.436 ' CE2' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -56.37 -47.42 78.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.595 ' HB3' HD11 ' A' ' 49' ' ' ILE . 15.7 mmm -58.01 -62.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -40.91 -33.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -44.71 52.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.495 HD12 ' CE2' ' A' ' 108' ' ' PHE . 89.0 mt -80.9 -65.73 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' MET . 34.8 m-85 -98.71 109.35 52.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 137.56 21.94 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.35 42.02 97.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 92.2 p -113.32 -30.04 7.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.763 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -118.14 -170.19 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.56 57.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.534 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -44.82 -25.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -88.15 39.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HB3' HD13 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -157.83 -45.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.534 ' CG1' HD23 ' A' ' 51' ' ' LEU . 5.3 p -45.51 161.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' N ' HG22 ' A' ' 54' ' ' VAL . 37.2 mmtt -115.83 101.68 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.522 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.3 m-85 -89.35 32.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -162.92 29.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.715 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -66.63 125.28 25.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.457 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -107.59 -7.24 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.752 HD12 ' NE2' ' A' ' 62' ' ' HIS . 9.4 mt -119.98 158.47 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.58 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -68.34 -55.33 12.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.752 ' NE2' HD12 ' A' ' 60' ' ' LEU . 14.5 p80 -38.48 -32.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.715 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 2.4 mm-40 -69.52 -57.26 5.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.58 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 13.2 m-30 -37.96 -49.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.586 HG13 HG11 ' A' ' 90' ' ' VAL . 1.2 mp -42.74 -65.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -44.95 -53.75 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -42.98 -49.48 5.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.588 ' HB3' HG22 ' A' ' 86' ' ' VAL . 44.8 m-85 -70.77 -46.94 62.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -45.09 -43.38 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.512 HG22 HG22 ' A' ' 49' ' ' ILE . 93.6 mt -67.79 -58.2 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.552 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.2 tm? -43.11 -54.1 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 75' ' ' PHE . 4.7 tp60 -38.18 -49.62 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -44.59 -47.74 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.478 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -40.4 -42.89 2.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 m-30 -71.06 -62.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -70.19 60.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.453 ' CG ' ' O ' ' A' ' 76' ' ' LYS . 43.2 mtt-85 -164.91 -42.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.428 ' HG3' ' CD2' ' A' ' 45' ' ' PHE . 44.4 mmm -95.44 -37.54 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 136.61 69.31 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.414 ' HB ' ' CB ' ' A' ' 75' ' ' PHE . 5.2 t -148.23 126.64 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -117.13 64.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.572 ' HE2' ' CE3' ' A' ' 103' ' ' TRP . 27.9 tptt -111.34 134.87 52.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.3 mm -86.29 109.78 19.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.552 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 16.9 mt -82.5 115.64 59.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.05 64.09 6.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.783 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.842 ' O ' HG22 ' A' ' 90' ' ' VAL . 25.6 t -59.17 -61.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.467 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 2.2 t0 -39.05 -40.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 91' ' ' LYS . 20.4 mtpp -81.21 -60.73 2.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.516 HD13 ' CE1' ' A' ' 68' ' ' PHE . 82.4 mt -42.9 -52.38 5.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.842 HG22 ' O ' ' A' ' 86' ' ' VAL . 21.5 m -62.44 -34.49 64.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -75.05 -14.0 60.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' LYS . . . 64.15 75.95 0.33 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.6 OUTLIER -95.15 6.86 47.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 0.736 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.447 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 40.3 t80 57.03 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -48.67 -52.54 22.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -16.89 15.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.637 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -91.67 -35.26 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.481 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.5 t80 -80.5 -37.45 31.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -78.42 -7.84 57.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.812 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 4.4 t80 -101.2 -34.22 9.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 102' ' ' GLN . 14.4 p -73.64 -54.89 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.56 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -41.82 -32.2 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.572 ' CE3' ' HE2' ' A' ' 82' ' ' LYS . 71.5 t90 -77.79 -56.43 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.052 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.812 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -44.55 -40.8 5.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.475 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 4.3 tmtt? -68.06 -53.97 21.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -58.28 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -52.36 -59.32 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.495 ' CE2' HD12 ' A' ' 44' ' ' LEU . 2.0 m-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 15' ' ' ALA . 25.7 t-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -64.37 -35.6 81.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.472 ' SD ' HG13 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -88.08 -50.51 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.522 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.9 mt -45.6 -45.9 14.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.577 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . . . -61.05 -45.93 92.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.515 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 25.0 t90 -46.6 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 107.972 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.593 HG22 HD23 ' A' ' 23' ' ' LEU . 2.7 mp -55.61 -58.51 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 96.6 m-20 -40.05 -46.35 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.63 56.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.443 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 61.6 m -152.58 -44.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -129.25 5.33 5.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 71.77 68.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 21' ' ' LEU . 1.1 mm? -108.16 -158.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -171.85 58.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 30' ' ' GLN . 23.2 mt -78.86 140.75 38.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.91 -30.05 8.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.77 147.52 50.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.746 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.7 mm -60.1 -17.49 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.06 -4.48 38.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.79 ' HB3' HD22 ' A' ' 25' ' ' LEU . 9.1 mm-40 -71.29 -13.4 61.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.99 27.02 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.9 p -81.69 -19.14 42.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 108.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -72.4 -63.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.86 48.45 1.62 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.492 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -118.07 -48.92 2.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -40.12 -54.23 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -50.87 -56.68 11.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.699 ' SG ' HG21 ' A' ' 49' ' ' ILE . 0.9 OUTLIER -44.49 -65.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.338 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.696 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -45.44 -60.1 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -42.89 -53.84 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.563 ' HB3' HD11 ' A' ' 49' ' ' ILE . 12.3 mmm -49.15 -63.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.25 -44.27 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -60.91 -42.16 97.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' MET . 93.1 mt -77.38 -61.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' MET . 97.3 m-85 -108.72 109.81 61.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 111.45 3.33 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.6 42.01 4.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 p -115.09 -33.62 5.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.699 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -114.77 -175.11 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.453 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -119.97 60.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.595 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -44.18 -27.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.87 42.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.655 ' HB3' HD13 ' A' ' 70' ' ' ILE . 8.9 ttpt -160.74 -44.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.518 HG11 HD23 ' A' ' 51' ' ' LEU . 6.8 p -46.19 153.37 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 14.7 mmtt -109.51 99.31 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.595 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 4.5 m-30 -81.91 -25.91 34.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -99.92 29.68 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.558 ' HB2' ' HB3' ' A' ' 55' ' ' LYS . . . -76.62 126.08 30.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.25 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.433 ' C ' HD13 ' A' ' 60' ' ' LEU . 7.6 mmmt -112.03 -32.87 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.843 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -79.81 162.09 25.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.71 ' O ' HD12 ' A' ' 65' ' ' ILE . 2.1 tt0 -78.11 -42.45 31.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.621 ' CD2' ' HG2' ' A' ' 63' ' ' GLU . 20.4 p-80 -52.16 -26.86 12.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.579 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.621 ' HG2' ' CD2' ' A' ' 62' ' ' HIS . 1.5 mm-40 -74.49 -55.99 5.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.75 ' HB3' HG12 ' A' ' 90' ' ' VAL . 11.9 m-30 -36.73 -47.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 61' ' ' GLU . 2.9 mp -47.21 -66.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -43.02 -54.61 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -40.36 -55.05 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.519 ' HB3' HG22 ' A' ' 86' ' ' VAL . 48.9 m-85 -64.78 -46.82 80.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.27 -46.28 3.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.655 HD13 ' HB3' ' A' ' 53' ' ' LYS . 90.2 mt -67.14 -56.79 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.574 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -47.13 -49.27 22.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.36 -45.08 35.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.53 64.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -65.11 -26.84 71.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.564 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.0 m-30 -84.61 -47.95 10.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -24.06 66.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.5 mtt-85 -77.43 -56.79 4.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.1 mmt -65.3 -57.01 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.83 45.94 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.51 HG13 ' CZ ' ' A' ' 107' ' ' PHE . 95.2 t -96.99 107.18 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.37 69.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' CB ' ' CH2' ' A' ' 103' ' ' TRP . 41.7 tptt -142.58 139.19 31.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mt -111.56 93.7 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.979 HG22 HG23 ' A' ' 86' ' ' VAL . 48.0 mt -53.17 138.37 47.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.55 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.1 Cg_endo -74.98 -53.85 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.979 HG23 HG22 ' A' ' 84' ' ' ILE . 97.4 t 65.33 -74.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -35.43 -42.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -49.6 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 68' ' ' PHE . 61.1 mt -53.12 -59.74 4.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.75 HG12 ' HB3' ' A' ' 64' ' ' TYR . 35.7 m -53.95 -29.75 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 8.9 mmmt -76.47 -21.59 55.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.58 76.95 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 95' ' ' GLN . 4.7 mtmt -108.69 23.02 15.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 45.3 t80 55.95 -84.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -44.78 -60.81 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -45.14 -25.73 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.502 ' O ' HG12 ' A' ' 101' ' ' VAL . 0.9 OUTLIER -90.33 -51.12 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.558 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.3 t80 -59.47 -39.33 83.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.38 -2.25 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.809 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 5.6 t80 -110.53 -40.35 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.706 HG11 HD12 ' A' ' 28' ' ' ILE . 6.1 p -71.06 -35.76 60.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.472 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 1.5 pp0? -63.92 -40.56 96.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CH2' ' CB ' ' A' ' 82' ' ' LYS . 41.6 t90 -69.59 -55.03 11.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.809 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -42.89 -45.61 5.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.515 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 12.5 tttp -61.87 -56.45 19.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.35 -50.09 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.51 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 47.8 t80 -63.39 -56.64 14.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -57.77 -48.01 80.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.582 ' HB2' HD11 ' A' ' 28' ' ' ILE . 72.4 mmm -74.58 -51.94 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.867 HD21 HG12 ' A' ' 28' ' ' ILE . 3.9 mt -44.95 -42.27 8.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.69 98.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 15.4 t90 -46.06 -75.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.54 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.7 mp -48.88 -57.23 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -41.19 -45.14 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.28 60.14 1.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.432 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 12.0 m -157.82 -44.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -128.91 4.83 5.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.32 72.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.653 ' N ' HD22 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -109.79 -157.72 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -175.67 52.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 30' ' ' GLN . 51.0 mt -82.12 149.13 28.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.3 p -113.93 -18.55 11.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.57 143.01 50.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.867 HG12 HD21 ' A' ' 14' ' ' LEU . 3.6 mm -62.26 -30.07 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' CG ' ' HA ' ' A' ' 94' ' ' PHE . 6.9 mt-10 -62.01 -13.74 28.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.794 ' HB3' HD22 ' A' ' 25' ' ' LEU . 23.4 mm-40 -63.92 -16.59 61.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -93.31 28.84 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.0 p -87.38 1.55 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 p -91.82 -32.58 15.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.17 50.69 26.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.621 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -119.97 -50.95 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.97 -58.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -47.25 -52.37 16.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.713 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -49.51 -65.71 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.313 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.61 ' HB3' HD22 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -48.34 -45.5 35.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.479 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -58.07 -37.35 74.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.599 ' HB3' HD11 ' A' ' 49' ' ' ILE . 17.8 mmm -68.42 -66.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 41' ' ' MET . 0.4 OUTLIER -38.02 -31.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' MET . 2.0 ttp -75.97 -51.79 11.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.511 HD12 ' CE2' ' A' ' 108' ' ' PHE . 78.8 mt -71.53 -53.66 13.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 41' ' ' MET . 60.0 m-85 -107.96 113.42 61.01 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 126.52 10.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.428 1.752 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.72 54.13 33.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 45' ' ' PHE . 2.5 p -121.13 -35.61 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.713 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -111.35 -165.8 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -132.48 61.06 1.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.663 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.9 mt -45.69 -25.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.94 40.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.525 ' HB3' HD13 ' A' ' 70' ' ' ILE . 15.9 ttpt -158.59 -45.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.609 HG11 HD23 ' A' ' 51' ' ' LEU . 5.3 p -47.91 156.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.549 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 1.3 mmpt? -115.69 87.49 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.663 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.2 m-85 -69.07 -32.66 72.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -95.46 39.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.665 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -86.69 130.46 34.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -111.87 -31.42 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.82 156.57 26.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.57 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -68.76 -54.25 17.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 15.9 p80 -39.85 -37.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.665 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.1 mm-40 -63.43 -53.84 45.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.752 ' HB3' HG12 ' A' ' 90' ' ' VAL . 8.7 m-30 -42.93 -43.27 4.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.546 HG13 HG11 ' A' ' 90' ' ' VAL . 1.1 mp -54.91 -68.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.435 ' N ' HG22 ' A' ' 65' ' ' ILE . 5.5 mt-30 -42.33 -53.15 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.5 m-20 -42.55 -53.19 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.588 ' HB3' HG22 ' A' ' 86' ' ' VAL . 28.7 m-85 -66.24 -44.75 82.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -43.63 -43.49 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.546 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 95.7 mt -69.38 -55.64 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.511 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -48.58 -54.8 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.0 -37.51 4.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -64.26 -40.47 96.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -45.77 -41.11 9.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.158 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.558 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.3 m-30 -63.62 -56.6 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -70.26 60.29 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 75' ' ' PHE . 40.3 mtt180 -160.13 -57.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 30.1 mmm -79.37 -63.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.52 66.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 t -140.39 123.08 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -113.44 65.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 33.7 tptt -120.7 127.84 52.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.2 mm -87.42 105.04 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.929 HG22 HG23 ' A' ' 86' ' ' VAL . 10.9 mt -70.35 142.81 89.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.247 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.731 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -74.94 -56.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.929 HG23 HG22 ' A' ' 84' ' ' ILE . 70.5 t 63.79 -77.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.514 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 2.0 m-20 -41.09 -35.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -80.59 -42.53 22.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.372 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 86' ' ' VAL . 20.9 mt -64.23 -57.57 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.752 HG12 ' HB3' ' A' ' 64' ' ' TYR . 26.1 m -55.0 -31.7 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 6.5 mmmt -74.37 -3.39 30.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 47.33 71.73 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' GLN . 1.7 mmmt -101.93 9.34 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ASN . 51.0 t80 57.36 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -45.17 -58.81 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -48.3 -24.28 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.462 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -89.24 -38.48 14.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.618 ' HA ' HG12 ' A' ' 101' ' ' VAL . 21.5 t80 -72.01 -37.33 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -77.37 -7.87 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.808 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.7 t80 -104.96 -32.28 8.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.712 HG11 HD12 ' A' ' 28' ' ' ILE . 14.9 p -75.74 -46.09 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.409 ' N ' HG13 ' A' ' 101' ' ' VAL . 9.2 pt20 -52.17 -24.61 7.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.565 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 70.5 t90 -86.62 -58.49 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 107.996 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.808 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -44.92 -36.07 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.508 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 6.0 tmtt? -73.98 -54.86 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -52.72 19.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -60.67 -52.76 63.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.511 ' CE2' HD12 ' A' ' 44' ' ' LEU . 1.6 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -87.1 -43.65 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.616 ' HE2' HG22 ' A' ' 101' ' ' VAL . 70.8 mmm -79.83 -43.32 22.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.549 HD21 HG12 ' A' ' 28' ' ' ILE . 5.2 mt -41.95 -43.5 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.35 84.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 31.1 t90 -47.92 -62.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.493 HG22 ' HB2' ' A' ' 23' ' ' LEU . 3.4 mp -57.19 -58.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.3 m-20 -42.35 -45.91 4.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.73 49.91 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.7 m -149.97 -45.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.774 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -132.72 7.8 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 67.58 43.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.547 ' CD2' HD12 ' A' ' 21' ' ' LEU . 1.7 mm? -66.79 -178.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.04 58.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.905 HD22 ' HB3' ' A' ' 30' ' ' GLN . 28.9 mt -98.98 144.83 27.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.693 HG23 ' HG2' ' A' ' 27' ' ' LYS . 7.9 t -113.86 -25.25 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.438 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.693 ' HG2' HG23 ' A' ' 26' ' ' THR . 24.3 mmtm -131.01 140.29 50.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.587 HD12 HG11 ' A' ' 101' ' ' VAL . 2.2 mm -46.77 -48.37 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -40.14 -29.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.905 ' HB3' HD22 ' A' ' 25' ' ' LEU . 23.8 mm-40 -48.83 -22.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.529 HD11 HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -91.59 31.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' GLU . 23.0 p -89.91 -15.15 32.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 108.323 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.8 p -78.88 -61.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.88 51.5 0.95 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.489 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -113.36 -55.68 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.75 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -38.56 -59.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -43.6 -48.55 7.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.691 ' SG ' HG21 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -55.25 -65.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.774 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -49.65 -51.36 38.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.501 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -50.16 -44.9 52.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.574 ' HB3' HD11 ' A' ' 49' ' ' ILE . 12.3 mmm -58.87 -59.26 5.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.56 -40.74 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -32.9 74.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' MET . 87.3 mt -91.42 -70.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' MET . 86.4 m-85 -98.08 109.47 51.89 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.51 11.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.84 38.77 41.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p -112.83 -31.24 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.002 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.691 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -119.29 -177.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.38 64.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.631 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -46.32 -27.21 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 43.75 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -162.36 -44.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.539 HG11 ' HE1' ' A' ' 56' ' ' PHE . 6.8 p -49.49 149.61 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 12.3 mmtm -107.92 87.83 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.631 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.4 m-30 -66.88 -40.84 87.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.16 44.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.643 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -87.61 127.82 35.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.429 ' C ' HD13 ' A' ' 60' ' ' LEU . 1.8 mtpp -111.06 -32.19 6.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.02 158.22 25.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.587 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -68.87 -55.95 9.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 12.9 p80 -38.98 -39.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.643 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -59.35 -56.25 24.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.587 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 7.5 m-30 -41.77 -52.15 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.044 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.636 ' H ' HD12 ' A' ' 65' ' ' ILE . 3.6 mp -45.9 -69.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' ASN . 13.6 mt-30 -41.52 -57.83 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.2 m-20 -39.67 -53.11 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.687 ' HB3' HG22 ' A' ' 86' ' ' VAL . 41.1 m-85 -66.2 -45.98 78.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -42.59 -42.02 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.85 -56.9 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.602 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.9 tm? -47.77 -50.68 24.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.24 -40.33 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.48 78.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.03 -24.97 22.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.485 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.8 m-30 -85.5 -57.82 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -18.09 34.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -75.83 -43.18 47.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 48.9 mmm -90.05 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.06 69.25 0.01 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.441 HG12 ' HB3' ' A' ' 82' ' ' LYS . 55.8 t -121.57 107.99 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 70.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.573 ' CG ' ' CH2' ' A' ' 103' ' ' TRP . 47.2 tptt -145.13 137.05 25.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mt -116.1 91.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.705 HG22 HG23 ' A' ' 86' ' ' VAL . 47.7 mt -53.78 141.37 47.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.05 -49.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.705 HG23 HG22 ' A' ' 84' ' ' ILE . 99.1 t 65.65 -71.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.6 OUTLIER -45.42 -25.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.4 mtpp -92.15 -38.01 12.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.554 HD11 ' CE2' ' A' ' 100' ' ' PHE . 55.9 mt -73.1 -18.44 61.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' VAL . 6.3 m -101.96 12.04 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -111.11 -13.31 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.42 59.36 10.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.7 OUTLIER -94.43 9.03 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 0.786 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 97' ' ' ASN . 75.5 t80 58.08 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -46.05 -59.18 3.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.296 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -19.43 8.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.579 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -90.18 -20.17 23.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.467 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.6 t80 -97.24 -41.52 8.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -71.07 -4.53 25.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.793 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 14.7 t80 -102.05 -47.7 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.616 HG22 ' HE2' ' A' ' 13' ' ' MET . 10.0 p -61.31 -55.41 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.546 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -38.57 -45.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CH2' ' CG ' ' A' ' 82' ' ' LYS . 64.6 t90 -67.04 -61.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 107.952 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.793 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -38.4 -37.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.519 ' CB ' ' HE1' ' A' ' 13' ' ' MET . 4.4 tmtt? -70.09 -62.7 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.98 -50.15 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -63.59 -45.19 91.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.434 ' CE2' HD12 ' A' ' 44' ' ' LEU . 1.2 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -69.96 -37.73 75.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.59 ' HE1' ' CB ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -81.97 -49.25 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.479 HD13 ' C ' ' A' ' 26' ' ' THR . 8.2 mt -42.98 -46.01 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.35 82.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' MET . 23.1 t90 -46.86 -69.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 108.009 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.809 HG22 HD23 ' A' ' 23' ' ' LEU . 3.2 mp -54.12 -59.04 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' ILE . 94.5 m-20 -39.66 -47.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.86 61.61 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.458 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 47.1 m -161.64 -42.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.75 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -128.38 5.48 5.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.5 66.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.809 HD23 HG22 ' A' ' 17' ' ' ILE . 1.1 mm? -106.47 -159.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -169.53 56.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 30' ' ' GLN . 28.2 mt -81.95 145.62 30.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.479 ' C ' HD13 ' A' ' 14' ' ' LEU . 68.2 p -113.4 -23.3 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -131.15 161.01 33.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.802 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.8 mm -75.86 -27.56 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.28 -8.33 31.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.474 ' HB3' HD22 ' A' ' 25' ' ' LEU . 6.8 mm-40 -69.53 -14.26 62.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.58 28.31 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.4 p -77.6 -20.02 54.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 108.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 p -73.64 -61.5 1.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.08 55.99 1.09 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.508 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -121.1 -46.81 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.16 -52.2 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -52.75 -49.43 65.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.734 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.1 m -51.21 -54.35 26.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.316 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.608 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -55.84 -57.58 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.458 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -45.05 -39.01 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.601 ' HB3' HD11 ' A' ' 49' ' ' ILE . 12.9 mmm -65.34 -63.59 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.84 -36.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -42.42 69.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.615 HD12 ' CE2' ' A' ' 108' ' ' PHE . 59.8 mt -83.25 -69.41 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 41' ' ' MET . 50.7 m-85 -89.47 112.14 49.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 123.0 7.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.13 51.68 32.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.448 ' C ' HD13 ' A' ' 49' ' ' ILE . 2.9 p -117.99 -33.17 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.734 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -117.66 -172.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.62 67.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.726 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.3 mt -48.7 -24.17 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.67 41.24 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -161.04 -43.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.571 HG11 HD23 ' A' ' 51' ' ' LEU . 7.4 p -49.44 151.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 3.3 mmtt -101.84 101.5 11.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.726 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.1 m-85 -90.29 39.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -178.03 37.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -74.51 135.33 42.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.564 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -115.87 -9.65 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.708 HD12 ' NE2' ' A' ' 62' ' ' HIS . 4.0 mt -108.24 157.11 18.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.8 mt-10 -70.53 -56.95 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.708 ' NE2' HD12 ' A' ' 60' ' ' LEU . 10.6 p80 -38.77 -31.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.537 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.528 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 2.0 mm-40 -70.79 -59.7 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.604 ' HB3' HG12 ' A' ' 90' ' ' VAL . 13.9 m-30 -36.34 -43.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.728 HG13 HG11 ' A' ' 90' ' ' VAL . 1.2 mp -53.78 -67.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ASN . 11.9 mt-30 -42.7 -56.0 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 3.0 m-20 -39.76 -52.19 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.645 ' HB3' HG22 ' A' ' 86' ' ' VAL . 37.8 m-85 -68.1 -44.74 75.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -44.18 -48.2 9.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.645 HG22 HG22 ' A' ' 49' ' ' ILE . 89.1 mt -62.19 -56.42 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.627 HD11 ' HZ ' ' A' ' 104' ' ' PHE . 1.7 tm? -47.36 -55.23 9.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -43.0 -62.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.17 -33.17 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -53.57 -23.63 21.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.464 ' CD2' ' CG1' ' A' ' 80' ' ' VAL . 8.8 m-30 -87.59 -60.76 1.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -53.94 -25.8 22.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -68.51 -55.32 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 62.8 mmm -76.02 -70.21 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.53 60.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.464 ' CG1' ' CD2' ' A' ' 75' ' ' PHE . 24.5 t -125.86 103.32 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.01 71.48 6.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 44.1 tptt -126.96 135.34 50.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.1 mm -100.97 104.79 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.006 HG22 HG23 ' A' ' 86' ' ' VAL . 69.7 mt -74.93 143.63 78.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.767 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -74.96 -60.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 1.006 HG23 HG22 ' A' ' 84' ' ' ILE . 62.7 t 65.2 -77.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.9 OUTLIER -42.34 -27.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.8 mtpp -88.35 -44.13 11.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' VAL . 16.7 mt -65.24 -47.97 74.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.728 HG11 HG13 ' A' ' 65' ' ' ILE . 23.1 m -61.43 -31.99 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 92' ' ' GLY . 0.8 OUTLIER -70.63 -8.72 53.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' LYS . . . 35.74 87.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -141.01 24.85 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' ASP . 34.3 t80 49.52 178.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 66.16 -68.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 44.0 m-20 -53.52 -20.61 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.861 ' O ' HG12 ' A' ' 101' ' ' VAL . 1.1 m-80 -90.35 -44.15 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.508 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.6 t80 -68.87 -35.77 77.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -78.13 -7.11 56.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.806 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 1.6 t80 -107.12 -46.45 3.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 97' ' ' ASN . 4.4 p -60.31 -41.04 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -52.58 -47.16 67.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.579 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 69.2 t90 -62.42 -59.05 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.023 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.806 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -42.85 -39.04 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.59 ' CB ' ' HE1' ' A' ' 13' ' ' MET . 0.0 OUTLIER -70.93 -61.82 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -52.14 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -56.77 -53.18 60.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.615 ' CE2' HD12 ' A' ' 44' ' ' LEU . 3.0 m-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.02 -39.46 81.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.466 ' CE ' ' HD3' ' A' ' 105' ' ' LYS . 65.3 mmm -87.71 -52.28 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.648 HD21 HG12 ' A' ' 28' ' ' ILE . 5.9 mt -40.29 -45.6 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -63.13 -48.04 80.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.552 ' CE2' ' CZ ' ' A' ' 40' ' ' PHE . 33.5 t90 -44.4 -68.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.0 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.514 HG23 HD12 ' A' ' 21' ' ' LEU . 1.5 mp -51.63 -59.89 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' LEU . 92.7 m-20 -43.81 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -38.53 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.472 ' CB ' ' CZ ' ' A' ' 40' ' ' PHE . 20.8 m -38.12 -45.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' A' ' 39' ' ' GLN . 47.1 mt -104.32 -133.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -144.54 40.38 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -94.58 -168.72 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -170.3 44.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 30' ' ' GLN . 20.8 mt -71.84 148.01 46.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.492 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 19.9 p -105.14 -15.81 14.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -132.42 163.91 27.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.77 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.4 mm -78.44 -33.7 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.35 -14.24 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.603 ' HB3' HD22 ' A' ' 25' ' ' LEU . 6.3 mm-40 -64.45 -12.21 41.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -93.02 32.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.554 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 17.1 p -91.42 37.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 p -126.75 -63.23 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.05 46.2 1.39 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.697 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -119.13 -51.87 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.84 -59.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -46.66 -51.53 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.783 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -49.81 -50.27 45.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.542 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -55.01 -56.27 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.552 ' CZ ' ' CE2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -49.88 -39.11 38.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.577 ' HB3' HD11 ' A' ' 49' ' ' ILE . 22.6 mmm -64.22 -62.16 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -46.34 -34.74 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -35.84 74.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.492 HD12 ' CE2' ' A' ' 108' ' ' PHE . 74.3 mt -85.79 -62.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' MET . 91.0 m-85 -106.91 109.27 63.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.87 29.52 20.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.4 p -100.98 -34.35 9.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.783 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -115.05 -166.6 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -128.43 60.5 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.67 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -45.94 -25.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.44 40.45 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.494 ' HB3' HD13 ' A' ' 70' ' ' ILE . 18.9 ttpt -158.61 -45.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.518 HG11 HD23 ' A' ' 51' ' ' LEU . 5.6 p -46.11 153.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.434 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 2.9 mmpt? -110.88 93.6 4.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.697 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 3.9 m-30 -74.55 -30.69 61.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -98.72 40.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -85.39 131.57 34.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' C ' HD13 ' A' ' 60' ' ' LEU . 4.4 mtmt -113.99 -30.67 6.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.36 158.66 22.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.589 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.0 mt-10 -70.68 -55.05 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 12.7 p80 -39.36 -39.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.556 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.5 mm-40 -57.82 -62.16 2.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.589 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 7.2 m-30 -38.3 -53.55 1.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.54 ' H ' HD12 ' A' ' 65' ' ' ILE . 2.3 mp -39.05 -63.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' ASN . 12.1 mt-30 -51.24 -54.2 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.3 m-20 -40.19 -47.0 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.514 ' CD2' HG13 ' A' ' 86' ' ' VAL . 35.8 m-85 -71.17 -45.15 64.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -43.31 -47.05 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.658 HG22 HG22 ' A' ' 49' ' ' ILE . 89.1 mt -64.31 -57.4 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.572 HD11 ' HZ ' ' A' ' 104' ' ' PHE . 1.7 tm? -45.99 -55.69 6.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -48.61 -41.69 31.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -60.7 -27.83 68.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -63.93 -28.82 73.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.476 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.4 m-30 -79.86 -48.7 13.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.76 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -18.59 56.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -81.12 -48.3 12.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mmt -76.34 -56.9 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.73 53.84 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.5 t -122.24 112.17 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 65.72 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.558 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 39.4 tptt -113.85 133.79 55.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.7 mm -87.49 110.26 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.53 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 23.2 mt -84.48 115.8 62.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -74.99 67.66 5.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.965 ' O ' HG22 ' A' ' 90' ' ' VAL . 46.9 t -64.94 -58.82 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.03 -28.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 91' ' ' LYS . 40.7 mtpt -95.2 -58.55 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 79.8 mt -45.88 -41.8 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.965 HG22 ' O ' ' A' ' 86' ' ' VAL . 29.5 m -71.12 -32.51 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 88' ' ' LYS . 11.9 mttt -72.04 -12.67 61.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.71 50.63 6.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -88.11 83.16 7.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.678 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -34.63 -55.28 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.405 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -55.15 -48.34 73.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.228 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -79.95 3.48 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -99.51 -41.65 7.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.668 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.4 t80 -84.91 -36.62 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -72.36 -4.22 28.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 8.9 t80 -107.31 -40.42 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.668 HG12 ' HA ' ' A' ' 98' ' ' PHE . 10.9 p -70.09 -43.41 79.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.2 pt20 -54.41 -23.21 14.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.558 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 47.7 t90 -87.14 -53.78 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 108.02 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -46.13 -38.01 7.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.525 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 2.5 ttpm? -66.94 -44.51 80.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -54.7 32.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.07 -19.51 44.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.492 ' CE2' HD12 ' A' ' 44' ' ' LEU . 3.9 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.36 -39.5 12.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.523 ' SD ' HG13 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -80.41 -33.51 36.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 mt -50.77 -45.71 59.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.12 79.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.457 ' CH2' ' CE2' ' A' ' 40' ' ' PHE . 30.5 t90 -45.84 -61.63 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 108.027 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.476 HG22 HD23 ' A' ' 23' ' ' LEU . 2.4 mp -61.89 -61.27 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' ILE . 62.6 m-20 -38.13 -44.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.94 60.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.6 m -159.18 -44.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.663 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -126.83 1.89 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER 72.72 72.16 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.665 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -110.82 -158.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -172.16 59.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 30' ' ' GLN . 68.9 mt -83.68 148.26 27.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -115.32 -18.69 10.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -131.8 167.25 19.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.9 ' O ' HD12 ' A' ' 31' ' ' LEU . 6.2 mm -81.2 -34.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.49 -11.93 38.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.779 ' HB3' HD22 ' A' ' 25' ' ' LEU . 4.4 mm-40 -62.02 -13.94 30.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.9 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -93.81 28.3 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.416 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 27.7 p -92.57 40.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -126.2 -64.33 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.93 48.77 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -123.62 -55.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.97 -60.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -45.32 -51.6 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.777 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.2 m -49.28 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 108.269 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.654 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -42.06 -46.02 4.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.458 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -58.26 -41.5 84.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.604 ' HB3' HD11 ' A' ' 49' ' ' ILE . 7.5 mmm -63.59 -63.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -29.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -75.29 -43.08 53.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 41' ' ' MET . 95.2 mt -77.49 -49.46 14.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 92.7 m-85 -123.57 109.28 30.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 124.28 8.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.6 33.41 22.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -108.67 -35.26 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.044 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.777 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -114.43 -167.59 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.463 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -129.57 65.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.724 HD23 HG11 ' A' ' 54' ' ' VAL . 1.9 mt -51.6 -22.02 3.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.59 38.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HB3' HD13 ' A' ' 70' ' ' ILE . 5.5 ttpt -159.13 -44.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.724 HG11 HD23 ' A' ' 51' ' ' LEU . 6.3 p -47.04 150.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 34.5 mmtt -104.78 102.53 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.614 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.2 m-85 -89.22 31.47 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -162.46 27.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -69.83 130.14 41.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.489 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -111.45 -30.95 7.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.832 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.89 165.35 18.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.697 ' O ' HD12 ' A' ' 65' ' ' ILE . 3.3 tt0 -81.25 -40.75 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.629 ' CD2' ' HG2' ' A' ' 63' ' ' GLU . 17.7 p-80 -53.26 -30.65 39.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.595 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.629 ' HG2' ' CD2' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -68.75 -57.25 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 12.2 m-30 -37.53 -47.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 61' ' ' GLU . 2.1 mp -43.9 -68.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ASN . 4.5 mt-30 -47.87 -56.49 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.6 m-20 -39.51 -47.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 89' ' ' LEU . 20.3 m-85 -72.1 -47.38 51.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -42.56 -49.55 5.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 53' ' ' LYS . 88.9 mt -58.69 -58.08 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.556 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.5 tm? -47.76 -53.19 16.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.402 ' NE2' HG13 ' A' ' 84' ' ' ILE . 1.8 tp60 -50.33 -43.74 54.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -58.09 -28.15 64.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.83 -33.18 86.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.9 m-30 -75.21 -49.34 19.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -17.08 58.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -83.51 -54.72 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.406 ' CE ' ' CD1' ' A' ' 45' ' ' PHE . 97.2 mmm -68.94 -60.05 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 146.54 57.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.5 t -128.71 117.23 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -97.03 61.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.541 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 42.5 tptt -112.07 126.76 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.4 mm -82.28 109.91 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.556 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 18.5 mt -81.81 119.72 75.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.576 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -74.97 63.08 5.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.794 ' O ' HG22 ' A' ' 90' ' ' VAL . 40.2 t -61.57 -62.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' VAL . 1.6 t0 -39.84 -31.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 91' ' ' LYS . 27.1 mtpp -89.59 -59.84 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 68' ' ' PHE . 81.1 mt -43.92 -41.15 5.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 86' ' ' VAL . 24.5 m -71.23 -36.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 88' ' ' LYS . 42.6 mttt -70.48 -14.31 62.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.06 64.82 2.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 96' ' ' ASP . 5.6 mmpt? -103.85 82.77 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -37.73 -31.95 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' LYS . 66.3 tt0 -69.55 -50.96 39.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.227 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.495 ' OD2' ' CB ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -83.59 6.37 20.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.575 ' O ' HG12 ' A' ' 101' ' ' VAL . 1.0 OUTLIER -104.41 -41.72 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.491 ' CD2' HG13 ' A' ' 28' ' ' ILE . 2.5 t80 -80.9 -36.63 30.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -77.64 -10.74 59.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.335 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.808 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.8 t80 -95.91 -37.09 10.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 97' ' ' ASN . 6.5 p -76.09 -28.93 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.46 -28.42 68.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.541 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 57.5 t90 -84.62 -56.56 3.54 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.808 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -42.19 -45.71 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.57 -60.32 3.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -53.36 10.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -57.49 -51.73 68.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -61.53 -41.52 97.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' TRP . 55.2 mmm -78.32 -51.99 9.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.2 mt -42.93 -42.99 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.39 90.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 28.6 t90 -45.61 -69.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 107.994 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.13 -58.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -40.23 -45.41 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.54 60.19 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.5 m -159.05 -43.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.771 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -130.45 7.34 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 65.91 75.09 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.64 ' N ' HD22 ' A' ' 23' ' ' LEU . 1.2 mm? -109.68 -159.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -173.41 65.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -95.48 141.25 29.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.678 HG23 ' HG2' ' A' ' 27' ' ' LYS . 2.9 t -101.16 -27.08 13.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HG2' HG23 ' A' ' 26' ' ' THR . 11.1 mmtp -126.4 167.7 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.571 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.9 mm -76.54 -45.38 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.17 -24.24 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 28' ' ' ILE . 8.6 mm-40 -49.26 -22.35 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -91.59 32.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 25.5 p -92.73 21.22 5.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.326 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -110.0 -60.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.11 47.58 1.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -117.54 -55.83 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.78 -59.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -46.07 -52.94 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.811 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -52.3 -66.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.35 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.771 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.21 -47.66 9.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.403 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -57.38 -46.17 83.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.617 ' HB3' HD11 ' A' ' 49' ' ' ILE . 7.2 mmm -54.73 -60.74 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -44.45 -40.58 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -36.54 84.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' MET . 95.4 mt -82.33 -54.84 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -118.09 112.48 38.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.48 2.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.79 33.79 6.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -103.69 -35.8 8.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 0.733 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.811 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -115.4 -166.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.74 62.03 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.649 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -42.51 -28.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.14 44.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.62 ' HB3' HD13 ' A' ' 70' ' ' ILE . 7.3 ttpp -161.36 -45.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 56' ' ' PHE . 5.8 p -47.2 154.61 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 26.5 mmtt -110.51 100.56 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.649 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 5.8 m-30 -82.29 -35.12 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -91.57 28.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.629 ' HB2' ' HB3' ' A' ' 55' ' ' LYS . . . -74.61 126.48 30.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.415 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -112.62 -32.56 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.836 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -79.0 167.55 20.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.693 ' O ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -82.83 -42.5 17.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.628 ' CD2' ' HG2' ' A' ' 63' ' ' GLU . 20.1 p-80 -51.6 -28.52 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.618 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.628 ' HG2' ' CD2' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -72.54 -55.49 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 11.8 m-30 -37.75 -47.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.693 HD12 ' O ' ' A' ' 61' ' ' GLU . 3.6 mp -48.49 -69.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -40.77 -56.06 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -40.5 -54.4 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.595 ' HB3' HG22 ' A' ' 86' ' ' VAL . 40.7 m-85 -64.89 -44.8 88.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.41 -44.84 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.63 HG22 HG22 ' A' ' 49' ' ' ILE . 98.9 mt -68.26 -57.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.4 tm? -42.58 -50.51 5.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.375 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -50.37 -43.79 54.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -58.33 -23.46 56.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.75 -25.01 76.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.63 ' CD2' HG11 ' A' ' 80' ' ' VAL . 6.3 m-30 -86.18 -46.32 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -33.77 70.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -69.03 -56.79 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.3 mmt -65.48 -70.24 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 148.5 48.04 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.63 HG11 ' CD2' ' A' ' 75' ' ' PHE . 24.9 t -101.81 113.94 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.26 68.2 10.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.562 ' CB ' ' CH2' ' A' ' 103' ' ' TRP . 23.5 tptt -134.43 120.95 20.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.8 mm -88.23 91.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.966 HG22 HG23 ' A' ' 86' ' ' VAL . 74.0 mt -55.22 142.25 58.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.01 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.966 HG23 HG22 ' A' ' 84' ' ' ILE . 62.7 t 64.29 -78.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.501 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -44.05 -27.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.8 mtpp -86.38 -41.85 14.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' VAL . 13.9 mt -67.75 -56.56 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.644 HG11 HG13 ' A' ' 65' ' ' ILE . 9.7 m -54.09 -23.3 9.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 12.4 mmmt -81.85 -23.76 36.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 65.99 77.87 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.575 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -109.52 -0.18 18.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.484 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 8.1 t80 60.95 -67.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.575 ' N ' ' O ' ' A' ' 93' ' ' LYS . 3.2 tp60 -52.71 -32.15 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.408 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -92.97 11.73 26.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.467 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -119.52 -40.73 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.459 ' HA ' HG12 ' A' ' 101' ' ' VAL . 4.7 t80 -74.71 -30.78 61.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -83.89 -13.51 53.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.736 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.2 t80 -97.36 -23.69 15.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.555 HG11 HD12 ' A' ' 28' ' ' ILE . 12.0 p -83.27 -53.92 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.549 ' N ' HG13 ' A' ' 101' ' ' VAL . 3.0 pt20 -51.46 -21.9 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.562 ' CH2' ' CB ' ' A' ' 82' ' ' LYS . 8.5 t90 -88.6 -33.92 17.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.005 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.736 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -70.58 -34.22 71.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.465 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 7.3 tmtt? -73.61 -49.68 24.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -52.12 55.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -59.67 -50.82 72.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 44' ' ' LEU . 1.8 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -53.77 -46.6 71.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.542 ' HE2' HG22 ' A' ' 101' ' ' VAL . 70.9 mmm -76.02 -54.36 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.1 mt -39.76 -45.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -64.54 -47.67 77.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' MET . 26.6 t90 -42.65 -66.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mp -57.86 -62.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -40.82 -78.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -39.99 -69.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' GLU . 74.8 m -36.39 -50.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.943 HD22 ' NE2' ' A' ' 39' ' ' GLN . 89.0 mt -100.09 -126.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.613 ' H ' HD22 ' A' ' 23' ' ' LEU . 40.9 mt-30 -150.13 48.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.613 HD22 ' H ' ' A' ' 22' ' ' GLN . 2.4 mm? -105.85 -164.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -167.63 37.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 30' ' ' GLN . 19.4 mt -51.26 147.84 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.433 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 69.1 p -115.1 -19.5 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -130.81 150.53 51.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.814 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.3 mm -68.36 -18.52 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.2 -7.47 55.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.509 ' HB3' HD22 ' A' ' 25' ' ' LEU . 13.6 mm-40 -68.7 -8.38 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.814 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.55 30.16 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.6 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 20.3 p -94.17 34.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 2.9 p -122.24 -64.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.02 44.32 1.52 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.145 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.512 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -120.32 -53.28 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.36 -53.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -53.55 -58.75 6.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.771 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -43.01 -54.69 4.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.321 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.943 ' NE2' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.07 -59.41 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -48.39 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.607 ' HB3' HD11 ' A' ' 49' ' ' ILE . 24.3 mmm -55.25 -61.63 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.07 -33.21 11.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -27.19 63.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.649 HD12 ' CE2' ' A' ' 108' ' ' PHE . 89.5 mt -95.93 -59.54 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' MET . 44.3 m-85 -115.19 109.85 46.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 119.8 5.78 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.85 -22.26 35.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.4 p -52.9 -38.26 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.771 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -115.52 -164.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -134.45 64.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.591 HD21 ' HZ ' ' A' ' 56' ' ' PHE . 1.6 mt -44.63 -27.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.24 42.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -161.44 -44.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.552 HG11 HD23 ' A' ' 51' ' ' LEU . 6.5 p -48.39 145.61 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 5.1 mmtt -103.01 94.52 5.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.591 ' HZ ' HD21 ' A' ' 51' ' ' LEU . 4.1 m-30 -74.56 -40.3 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -90.52 42.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.574 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -83.89 128.92 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.444 ' C ' HD13 ' A' ' 60' ' ' LEU . 6.2 mtmt -113.59 -31.8 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.817 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.76 156.57 24.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -68.35 -54.63 16.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 15.2 p80 -39.34 -39.24 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.574 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.4 mm-40 -60.34 -58.23 9.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 32' ' ' CYS . 11.9 m-30 -39.6 -45.87 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.686 HG13 HG11 ' A' ' 90' ' ' VAL . 1.4 mp -51.43 -70.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -42.84 -52.97 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.4 m-20 -42.42 -51.55 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.563 ' HB3' HG22 ' A' ' 86' ' ' VAL . 30.4 m-85 -67.47 -43.64 80.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -43.99 -45.93 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.6 HG22 HG22 ' A' ' 49' ' ' ILE . 93.2 mt -65.13 -56.55 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -47.39 -51.62 19.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.661 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -46.5 -38.09 8.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -67.18 -35.5 79.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -52.29 -21.81 9.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.425 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 8.1 m-30 -90.14 -63.05 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -49.44 -27.66 4.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 67.2 mtt180 -74.63 -52.43 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.7 mmt -68.01 -67.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 153.71 44.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.782 HG22 ' CZ ' ' A' ' 107' ' ' PHE . 55.4 t -113.1 121.32 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -94.71 62.62 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.562 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 45.6 tptt -116.31 134.9 54.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.5 mm -100.25 102.28 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.958 HG22 HG23 ' A' ' 86' ' ' VAL . 59.8 mt -71.83 142.64 85.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.736 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -74.98 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.958 HG23 HG22 ' A' ' 84' ' ' ILE . 66.1 t 66.28 -79.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.513 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -35.18 -41.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -53.17 10.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 34.2 mt -55.29 -58.78 6.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.686 HG11 HG13 ' A' ' 65' ' ' ILE . 19.4 m -50.8 -31.97 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -73.93 -32.9 63.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 99.35 44.2 2.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 97' ' ' ASN . 37.1 mttt -85.79 82.06 8.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -36.43 -56.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.574 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -53.24 -48.07 68.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.14 4.08 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.507 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -103.98 -32.35 9.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.235 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.484 ' HB2' HG21 ' A' ' 28' ' ' ILE . 2.7 t80 -88.28 -34.69 17.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.13 -5.81 50.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.789 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 10.2 t80 -101.31 -36.16 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 102' ' ' GLN . 14.6 p -71.87 -54.47 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.553 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.5 OUTLIER -41.65 -44.24 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.277 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 49.4 t90 -66.26 -52.08 51.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.027 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.789 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -50.27 -57.84 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -42.92 -53.62 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.99 -65.19 0.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.782 ' CZ ' HG22 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -41.02 -34.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.649 ' CE2' HD12 ' A' ' 44' ' ' LEU . 9.5 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.36 -53.67 55.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' TRP . 79.4 mmm -66.16 -54.22 28.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.511 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.9 mt -41.92 -44.94 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.53 -48.73 76.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.514 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 33.9 t90 -46.48 -65.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.59 HG22 HD23 ' A' ' 23' ' ' LEU . 2.1 mp -57.47 -59.39 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' ILE . 55.2 m-20 -39.58 -49.03 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.15 60.61 2.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.5 m -162.06 -43.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.89 HD22 ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -126.27 5.56 7.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 65.3 70.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 21' ' ' LEU . 1.1 mm? -105.46 -156.33 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -177.16 64.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 30' ' ' GLN . 14.4 mt -98.71 150.2 22.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.5 p -109.05 -14.62 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -140.11 172.78 12.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.644 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.8 mm -79.77 -44.04 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.491 ' HG3' ' CA ' ' A' ' 94' ' ' PHE . 2.8 mt-10 -49.25 -22.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.521 ' HB3' HD22 ' A' ' 25' ' ' LEU . 4.0 mm-40 -53.85 -19.33 4.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.644 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -91.88 33.79 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.52 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 23.0 p -92.27 27.54 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.431 ' O ' ' CE2' ' A' ' 68' ' ' PHE . 6.8 p -115.17 -60.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.48 46.88 1.61 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -117.33 -53.59 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.25 -61.73 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -43.91 -53.23 6.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.75 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -50.77 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.89 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -42.32 -41.33 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.456 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -63.22 -39.97 96.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.549 ' HB3' HD11 ' A' ' 49' ' ' ILE . 31.1 mmm -64.93 -63.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -40.36 -42.3 1.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.76 -44.12 97.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.559 ' CD1' ' CE2' ' A' ' 108' ' ' PHE . 89.1 mt -75.74 -59.08 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 78' ' ' MET . 96.6 m-85 -112.25 107.97 55.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 124.15 8.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.43 34.93 30.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -110.27 -34.09 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.75 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -109.26 -168.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.666 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -124.75 55.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.652 HD21 ' HZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -44.03 -27.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -89.98 39.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.562 ' HB3' HD13 ' A' ' 70' ' ' ILE . 9.0 ttpt -157.13 -45.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.525 HG11 HD23 ' A' ' 51' ' ' LEU . 7.5 p -47.75 150.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.439 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 7.8 mmtt -106.69 99.46 9.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.652 ' HZ ' HD21 ' A' ' 51' ' ' LEU . 4.8 m-30 -80.47 -31.12 37.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -104.17 48.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -85.84 133.97 33.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -117.16 -4.61 11.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.743 HD12 ' NE2' ' A' ' 62' ' ' HIS . 7.2 mt -116.59 160.92 19.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.475 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.6 mt-10 -73.13 -54.51 8.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.743 ' NE2' HD12 ' A' ' 60' ' ' LEU . 11.8 p80 -39.47 -36.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.57 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.502 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 3.0 mm-40 -65.04 -61.76 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.52 ' CD2' ' O ' ' A' ' 32' ' ' CYS . 13.0 m-30 -35.69 -55.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.701 HG13 HG11 ' A' ' 90' ' ' VAL . 1.3 mp -39.61 -65.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -42.91 -54.5 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -41.2 -54.19 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.573 ' HB3' HG22 ' A' ' 86' ' ' VAL . 73.4 m-85 -64.58 -44.06 91.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -44.4 -41.41 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.602 HG22 HG22 ' A' ' 49' ' ' ILE . 64.0 mt -71.28 -54.92 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.567 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -48.83 -50.57 33.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.479 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -48.0 -37.4 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -68.18 -32.0 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.464 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -54.19 -30.4 47.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -81.95 -43.71 17.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -5.93 43.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -88.02 -44.07 11.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 45' ' ' PHE . 10.6 mmt -88.98 -69.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.35 66.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.981 HG13 ' CZ ' ' A' ' 107' ' ' PHE . 92.0 t -132.4 109.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.54 69.75 10.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 45.7 tptt -122.08 134.27 54.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.7 mm -100.24 106.13 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.968 HG22 HG23 ' A' ' 86' ' ' VAL . 29.0 mt -77.1 142.72 68.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.742 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.97 -60.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.968 HG23 HG22 ' A' ' 84' ' ' ILE . 61.9 t 66.66 -79.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 5.8 t0 -40.97 -29.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' A' ' 86' ' ' VAL . 8.1 mtpp -85.18 -46.19 11.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' VAL . 14.1 mt -65.28 -56.35 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.701 HG11 HG13 ' A' ' 65' ' ' ILE . 8.3 m -51.27 -34.04 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 16.2 mmmt -73.71 -26.21 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 96.35 44.01 3.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 97' ' ' ASN . 7.2 mmtm -82.93 69.88 9.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.627 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.03 -47.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.497 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 42.8 tt0 -57.11 -57.91 10.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -3.96 27.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -91.84 -43.44 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.44 ' HA ' HG12 ' A' ' 101' ' ' VAL . 3.2 t80 -73.63 -33.51 64.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -81.17 -8.72 59.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.775 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.6 t80 -98.3 -32.63 11.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 98' ' ' PHE . 7.6 p -79.14 -35.46 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 2.2 pt20 -60.32 -29.36 68.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 35.6 t90 -82.0 -48.98 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.775 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -49.71 -60.3 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 32.1 tttp -40.82 -58.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.73 -59.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.981 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 1.6 t80 -45.05 -32.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.559 ' CE2' ' CD1' ' A' ' 44' ' ' LEU . 3.6 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.5 m80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.04 -41.69 92.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TRP . 47.1 mmm -83.48 -51.82 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 28' ' ' ILE . 6.8 mt -41.53 -43.86 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.42 -47.78 78.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.627 ' CZ2' ' CE2' ' A' ' 40' ' ' PHE . 30.7 t90 -45.28 -72.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 107.967 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.605 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.2 mp -50.22 -56.87 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -42.37 -47.05 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.44 56.53 1.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.428 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 57.8 m -153.8 -44.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -127.71 4.33 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER 70.12 69.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.724 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -103.85 -156.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -177.42 58.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 30' ' ' GLN . 24.2 mt -87.88 148.35 24.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.3 p -107.17 -16.2 14.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -138.08 173.72 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.788 ' O ' HD12 ' A' ' 31' ' ' LEU . 5.3 mm -81.44 -41.82 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.64 -20.37 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.715 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.4 mm-40 -52.73 -19.96 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -91.34 34.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.3 p -92.8 22.26 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 108.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 p -107.25 -55.76 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.93 45.46 2.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.48 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -122.13 -51.1 2.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.96 -54.2 2.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -51.13 -51.21 55.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.718 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -51.1 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.297 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.633 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -43.24 -43.34 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.627 ' CE2' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -62.3 -36.21 81.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.58 ' HB3' HD11 ' A' ' 49' ' ' ILE . 20.1 mmm -70.29 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.89 -35.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -69.03 -45.09 71.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 41' ' ' MET . 80.0 mt -75.66 -53.07 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.52 ' CD1' ' HE2' ' A' ' 78' ' ' MET . 40.8 m-85 -126.72 107.94 22.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.1 16.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.87 -22.75 29.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.8 p -56.68 -35.78 68.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.718 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -112.56 -161.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.509 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -137.98 60.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.619 HD21 ' HZ ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -40.12 -29.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -88.92 43.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 70' ' ' ILE . 6.0 ttmt -159.07 -45.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 56' ' ' PHE . 7.6 p -50.45 153.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -113.13 94.7 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.619 ' HZ ' HD21 ' A' ' 51' ' ' LEU . 6.1 m-30 -73.39 -38.44 65.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -89.51 39.29 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -83.61 127.96 34.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' C ' HD13 ' A' ' 60' ' ' LEU . 2.4 ttpt -115.19 -33.36 5.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.824 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.16 158.55 26.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.6 mt-10 -69.44 -56.23 8.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 11.2 p80 -38.42 -37.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.45 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 2.1 mm-40 -63.01 -61.19 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.627 ' HB3' HG12 ' A' ' 90' ' ' VAL . 12.9 m-30 -35.94 -49.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.62 HG13 HG11 ' A' ' 90' ' ' VAL . 1.3 mp -48.92 -65.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' ASN . 9.0 mt-30 -45.7 -54.65 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.4 m-20 -39.79 -52.01 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.549 ' HB3' HG22 ' A' ' 86' ' ' VAL . 34.7 m-85 -66.95 -48.11 69.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -40.81 -41.28 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 53' ' ' LYS . 88.1 mt -71.24 -57.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.487 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.5 tm? -44.58 -50.68 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -46.01 -43.24 14.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.723 ' HB1' ' NH1' ' A' ' 77' ' ' ARG . . . -56.6 -34.63 67.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.443 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -52.57 -33.29 40.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -78.16 -50.4 12.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 2.2 ptpt -76.58 56.59 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.723 ' NH1' ' HB1' ' A' ' 73' ' ' ALA . 26.0 mtt85 -162.3 -43.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.52 ' HE2' ' CD1' ' A' ' 45' ' ' PHE . 70.2 mmm -90.04 -55.36 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 152.3 65.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.478 HG22 ' CE1' ' A' ' 107' ' ' PHE . 46.5 t -141.12 117.52 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.33 65.84 0.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.579 ' HB2' ' CH2' ' A' ' 103' ' ' TRP . 45.5 tptt -113.92 138.22 50.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mt -100.5 97.7 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.961 HG22 HG23 ' A' ' 86' ' ' VAL . 54.3 mt -68.48 137.33 90.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.235 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.5 Cg_endo -74.97 -55.03 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.961 HG23 HG22 ' A' ' 84' ' ' ILE . 60.1 t 63.6 -78.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' PRO . 66.1 t0 -39.06 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 86' ' ' VAL . 13.0 mtpp -85.31 -50.44 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 86' ' ' VAL . 19.9 mt -58.48 -48.11 81.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.627 HG12 ' HB3' ' A' ' 64' ' ' TYR . 17.5 m -61.92 -25.38 37.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 2.3 mtpm? -83.94 -14.19 51.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.71 62.25 2.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -101.11 78.12 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 93' ' ' LYS . 29.1 t80 -33.62 -40.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.43 -56.5 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -81.27 1.82 30.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -97.42 -29.97 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' HA ' HG12 ' A' ' 101' ' ' VAL . 4.2 t80 -94.1 -30.83 14.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -83.55 -7.12 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.3 t80 -102.56 -25.32 13.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.49 HG11 HD12 ' A' ' 28' ' ' ILE . 12.8 p -84.61 -39.64 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.7 pt20 -59.54 -25.69 64.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 82' ' ' LYS . 23.9 t90 -84.7 -46.31 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -53.7 -48.44 69.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.527 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 12.4 tttm -58.88 -59.24 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -61.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.478 ' CE1' HG22 ' A' ' 80' ' ' VAL . 4.4 t80 -49.75 -57.32 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 4' ' ' GLY . 10.1 m 62.88 164.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.76 . . . . 0.0 110.024 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 m 66.96 -71.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 109.0 -153.14 16.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t 179.9 114.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.49 -62.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.041 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.97 -150.01 24.5 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 44.65 88.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.92 179.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 0.1 OUTLIER 70.0 -72.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -17.43 15.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.569 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -55.79 -51.3 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' TRP . 82.0 mmm -70.54 -52.05 24.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.6 mt -41.02 -49.23 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.74 -45.71 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' A' ' 13' ' ' MET . 16.9 t90 -45.47 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.491 HG22 HD23 ' A' ' 23' ' ' LEU . 2.1 mp -53.04 -58.46 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 17' ' ' ILE . 45.2 m-20 -40.07 -44.85 1.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.83 55.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.47 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 20.2 m -151.66 -44.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.968 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -129.48 5.9 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.5 69.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.63 ' N ' HD22 ' A' ' 23' ' ' LEU . 1.1 mm? -106.65 -156.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -173.24 45.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 30' ' ' GLN . 56.8 mt -72.06 139.96 48.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.706 HG23 ' HG3' ' A' ' 27' ' ' LYS . 1.1 t -102.05 -28.23 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.706 ' HG3' HG23 ' A' ' 26' ' ' THR . 6.7 mttt -128.78 167.67 16.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.742 HD12 HG11 ' A' ' 101' ' ' VAL . 4.2 mm -76.26 -43.28 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.57 -25.79 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.624 ' HB3' HD22 ' A' ' 25' ' ' LEU . 10.4 mm-40 -51.11 -21.68 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -92.75 33.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.5 p -93.43 29.08 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 108.294 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 p -119.36 -61.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.77 49.19 0.97 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.65 -53.71 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.4 -58.75 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -47.57 -58.49 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.748 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.2 m -43.26 -64.78 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.277 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.62 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -46.52 -50.75 16.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.5 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -52.65 -45.42 66.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.573 ' HB3' HD11 ' A' ' 49' ' ' ILE . 8.4 mmm -58.51 -61.22 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.03 -41.26 3.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -39.92 95.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' MET . 89.4 mt -79.94 -62.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CD1' ' HE2' ' A' ' 78' ' ' MET . 83.1 m-85 -112.4 107.73 55.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.85 4.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.8 27.59 11.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 97.0 p -103.82 -33.57 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 0.737 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.748 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -117.51 -176.58 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.415 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -120.35 64.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.642 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -47.2 -25.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.51 41.88 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.629 ' HB3' HD13 ' A' ' 70' ' ' ILE . 14.6 ttpt -159.35 -44.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.557 HG11 HD23 ' A' ' 51' ' ' LEU . 6.9 p -47.55 149.15 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -99.6 102.1 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.642 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.5 m-30 -89.99 28.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -160.26 26.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -69.26 129.21 39.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -111.21 -29.05 8.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.717 HD12 ' NE2' ' A' ' 62' ' ' HIS . 4.7 mt -89.07 162.11 16.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.577 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.8 OUTLIER -72.91 -57.4 4.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.717 ' NE2' HD12 ' A' ' 60' ' ' LEU . 9.4 p80 -37.72 -37.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.555 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.524 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -63.12 -57.73 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.712 ' HB3' HG12 ' A' ' 90' ' ' VAL . 14.2 m-30 -36.26 -56.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.467 HG13 HG11 ' A' ' 90' ' ' VAL . 1.3 mp -41.25 -62.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -44.65 -58.07 3.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -40.7 -51.35 3.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.713 ' HB3' HG22 ' A' ' 86' ' ' VAL . 58.7 m-85 -66.5 -44.17 83.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.75 -45.01 6.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.629 HD13 ' HB3' ' A' ' 53' ' ' LYS . 97.3 mt -67.05 -57.08 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.573 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.7 tm? -47.07 -49.58 21.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.54 -38.0 42.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -63.34 -25.07 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -67.19 -17.5 68.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 4.9 m-30 -94.81 -51.89 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -14.79 48.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -84.15 -53.68 5.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.483 ' HE2' ' CD1' ' A' ' 45' ' ' PHE . 48.5 mmm -73.18 -62.56 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.91 57.32 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.442 HG12 ' HB3' ' A' ' 82' ' ' LYS . 62.9 t -108.64 111.41 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -73.88 65.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.574 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 38.9 tptt -145.0 121.84 11.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.3 mm -101.31 86.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.708 HG23 ' HD2' ' A' ' 85' ' ' PRO . 42.4 mt -42.15 142.09 1.26 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.708 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.98 -50.46 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.713 HG22 ' HB3' ' A' ' 68' ' ' PHE . 95.7 t 66.61 -68.59 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -49.11 -23.63 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -94.84 -29.4 14.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 86' ' ' VAL . 28.4 mt -79.68 -19.82 48.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.712 HG12 ' HB3' ' A' ' 64' ' ' TYR . 24.1 m -100.69 13.5 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.42 -22.72 20.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 50.01 52.6 25.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.22 11.55 8.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 96' ' ' ASP . 22.9 t80 63.08 -179.18 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 94' ' ' PHE . 36.7 tt0 67.01 -64.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 94' ' ' PHE . 47.8 m-20 -57.51 -18.08 17.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.616 ' HB3' HG22 ' A' ' 28' ' ' ILE . 5.9 m-80 -95.17 -40.15 9.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.627 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.0 t80 -71.52 -43.86 65.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -70.11 -5.8 29.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.794 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 8.7 t80 -106.89 -47.1 3.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.742 HG11 HD12 ' A' ' 28' ' ' ILE . 7.5 p -60.52 -44.75 97.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 1.4 pp0? -50.15 -46.02 53.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.574 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 76.8 t90 -63.84 -64.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.024 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.794 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -37.29 -48.95 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -58.86 -60.64 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.87 -58.36 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -55.96 -58.44 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -37.58 -47.11 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -60.67 -51.99 67.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.237 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 44.7 t -127.94 88.87 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 109.988 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -105.49 -113.7 3.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.88 43.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 m -60.57 121.24 11.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.977 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.9 m 62.16 151.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 t 57.4 84.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.981 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 p -153.72 -57.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.65 -149.09 18.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -102.52 155.41 18.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 110.015 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -46.41 154.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.26 -158.7 8.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.554 1.159 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -131.74 97.88 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.57 170.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 26' ' ' THR . 0.2 OUTLIER 71.0 -69.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.33 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -60.02 -15.38 22.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.594 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -59.78 -54.89 40.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.525 ' HE2' HG22 ' A' ' 101' ' ' VAL . 75.3 mmm -65.63 -54.36 28.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD21 HG12 ' A' ' 28' ' ' ILE . 4.4 mt -39.99 -46.51 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -63.74 -48.22 77.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 30.3 t90 -43.08 -68.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 108.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.1 -60.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' LEU . 71.7 m-20 -42.6 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -38.89 -67.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLU . 61.6 m -39.28 -38.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.53 HD22 ' NE2' ' A' ' 39' ' ' GLN . 43.0 mt -114.11 -131.0 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -145.68 41.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -93.53 -168.61 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.403 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 57.9 t-20 -171.21 43.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.808 HD22 ' HB3' ' A' ' 30' ' ' GLN . 34.6 mt -66.57 153.02 44.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.42 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 29.1 p -117.41 -14.12 10.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -132.23 142.62 49.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.731 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.7 mm -65.51 -14.56 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -79.95 -8.1 59.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.808 ' HB3' HD22 ' A' ' 25' ' ' LEU . 4.6 mm-40 -70.19 -13.22 62.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -92.29 29.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 31.4 p -91.92 16.06 11.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 p -104.36 -57.04 2.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.64 48.53 1.95 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.418 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -117.14 -54.13 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.47 -65.03 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -40.56 -56.41 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.71 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.1 m -45.65 -59.35 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 108.3 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.53 ' NE2' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -47.63 -62.29 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -42.18 -53.61 3.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.56 ' HB3' HD11 ' A' ' 49' ' ' ILE . 18.2 mmm -48.27 -64.33 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.87 -41.81 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.358 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -62.9 -42.23 99.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' MET . 86.8 mt -77.5 -58.42 3.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -110.67 110.56 57.41 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 111.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.79 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.21 42.34 5.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.1 p -113.88 -33.78 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.71 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -114.47 -174.21 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.475 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -122.14 60.67 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.656 HD23 HG11 ' A' ' 54' ' ' VAL . 1.2 mt -47.01 -24.71 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.71 39.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.495 ' HB3' HD13 ' A' ' 70' ' ' ILE . 6.4 ttpp -157.98 -45.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.656 HG11 HD23 ' A' ' 51' ' ' LEU . 4.3 p -46.02 156.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -105.96 97.92 7.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.639 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.6 m-85 -88.48 21.68 2.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -155.8 34.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.347 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.17 135.37 38.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' C ' HD23 ' A' ' 60' ' ' LEU . 1.4 mtpt -117.07 -7.94 11.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.69 HD12 ' NE2' ' A' ' 62' ' ' HIS . 5.9 mt -110.49 161.88 15.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -77.01 -55.86 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.69 ' NE2' HD12 ' A' ' 60' ' ' LEU . 10.7 p80 -38.06 -32.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.452 ' OE2' ' CE1' ' A' ' 62' ' ' HIS . 2.5 mm-40 -70.46 -58.58 3.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 13.1 m-30 -34.21 -48.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.599 HG13 HG11 ' A' ' 90' ' ' VAL . 1.9 mp -45.73 -66.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 67' ' ' ASN . 8.5 mt-30 -43.09 -56.81 3.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' GLN . 1.3 m-20 -39.01 -55.11 1.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.623 ' CD2' HG13 ' A' ' 86' ' ' VAL . 36.1 m-85 -63.44 -46.45 86.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -41.47 -46.54 3.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 96.1 mt -64.61 -57.22 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.557 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -49.16 -52.41 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.539 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -48.74 -33.66 10.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -70.68 -32.47 69.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -57.4 -25.26 54.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.511 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.6 m-30 -85.13 -53.83 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -20.1 7.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -76.98 -59.76 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.4 mmt -65.45 -54.03 34.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.78 55.3 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 82' ' ' LYS . 75.7 t -121.7 103.03 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -84.1 67.01 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 36.4 tptt -120.37 122.87 41.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 83' ' ' ILE . 4.5 mp -79.31 114.3 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.557 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 14.6 mt -84.73 121.85 74.65 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -74.96 66.35 5.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.927 ' O ' HG22 ' A' ' 90' ' ' VAL . 34.6 t -63.94 -64.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 86' ' ' VAL . 27.4 t70 -38.58 -31.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 91' ' ' LYS . 33.3 mtpt -89.78 -59.71 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.477 HD13 ' CE1' ' A' ' 68' ' ' PHE . 76.2 mt -44.96 -45.98 10.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 86' ' ' VAL . 32.7 m -62.25 -35.43 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 88' ' ' LYS . 14.5 mtmt -75.93 -16.99 59.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 63.52 75.79 0.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 95' ' ' GLN . 9.7 mmmt -92.15 12.64 21.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ASN . 45.3 t80 56.15 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -44.54 -63.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.15 -23.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.489 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -84.54 -38.73 19.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.539 ' HA ' HG12 ' A' ' 101' ' ' VAL . 3.1 t80 -77.58 -32.71 53.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -80.92 -11.41 59.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.809 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.9 t80 -99.48 -32.9 10.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' A' ' 98' ' ' PHE . 11.3 p -75.06 -41.23 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 2.3 pt20 -58.47 -26.07 62.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.568 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 38.6 t90 -84.11 -48.21 10.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 107.983 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.809 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -54.33 -27.73 37.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.52 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 3.3 tmtt? -82.87 -55.27 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -48.04 -54.64 12.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -56.98 -50.6 72.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 104' ' ' PHE . 1.8 m-85 -47.69 -54.66 11.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -45.15 -58.75 3.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.16 -56.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.43 97.92 0.06 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.43 20.42 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.01 -58.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.1 p 46.76 79.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -139.37 128.29 23.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 0.749 . . . . 0.0 110.025 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p -68.66 168.34 13.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.4 168.65 24.34 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 p -172.43 167.75 5.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.988 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 p -143.59 -53.98 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.98 -174.63 4.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.123 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -145.26 101.78 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER 60.35 168.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.347 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.498 ' NH2' ' CE1' ' A' ' 11' ' ' HIS . 7.1 mtm105 67.13 -74.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.485 1.115 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.498 ' CE1' ' NH2' ' A' ' 10' ' ' ARG . 32.2 m80 -49.86 -21.57 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 109.629 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 10' ' ' ARG . 15.5 t0 -57.18 -40.09 76.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.723 ' HE2' HG22 ' A' ' 101' ' ' VAL . 41.4 mmm -81.47 -53.27 6.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.2 mt -42.0 -42.11 2.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.29 -47.11 83.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 29.1 t90 -46.35 -63.48 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.52 HG22 HD23 ' A' ' 23' ' ' LEU . 2.3 mp -60.06 -60.8 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' ILE . 39.4 m-20 -38.4 -46.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.41 58.64 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.45 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 59.8 m -156.45 -44.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.733 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -126.35 1.93 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 74.58 60.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -99.19 -156.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -176.13 55.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.714 HD22 ' HB3' ' A' ' 30' ' ' GLN . 20.7 mt -75.57 146.89 40.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.6 p -113.73 -20.9 10.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -137.79 149.51 46.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.797 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.8 mm -63.09 -16.35 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.92 -3.93 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.714 ' HB3' HD22 ' A' ' 25' ' ' LEU . 8.6 mm-40 -73.18 -8.09 54.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -100.57 24.34 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 26.4 p -80.05 -14.34 58.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 108.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -79.17 -53.9 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.75 44.66 4.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.563 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -112.4 -49.26 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.35 -49.93 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -55.27 -50.86 68.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.767 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.2 m -49.87 -62.49 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.348 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.571 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -48.56 -52.63 21.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.474 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -51.92 -44.11 63.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.609 ' HB3' HD11 ' A' ' 49' ' ' ILE . 6.6 mmm -58.77 -62.17 2.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.11 -42.53 4.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.01 -39.33 91.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' MET . 98.3 mt -79.83 -58.79 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.441 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 78.1 m-85 -116.26 108.0 46.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 111.08 3.24 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.76 24.96 8.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.409 ' C ' HD13 ' A' ' 49' ' ' ILE . 82.0 p -100.54 -34.8 9.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.048 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.767 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -117.11 -178.14 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -117.3 60.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.643 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -40.66 -29.46 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -89.19 44.85 1.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.534 ' HB3' HD13 ' A' ' 70' ' ' ILE . 5.2 ttmt -161.03 -43.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.586 HG11 ' CE1' ' A' ' 56' ' ' PHE . 11.0 p -49.59 150.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 13.7 mmtt -108.5 90.23 3.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.643 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 6.5 m-30 -70.05 -34.31 73.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -95.43 43.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -89.49 129.15 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' C ' HD13 ' A' ' 60' ' ' LEU . 2.9 ttpt -113.55 -32.07 6.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.83 157.56 25.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.245 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -69.52 -53.69 17.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 17.1 p80 -39.66 -37.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.609 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.625 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.0 OUTLIER -63.79 -57.65 9.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.515 ' HB3' HG12 ' A' ' 90' ' ' VAL . 9.1 m-30 -39.6 -42.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.485 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 1.9 mp -52.96 -68.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' ASN . 5.2 mt-30 -45.17 -53.39 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.352 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.9 m-20 -39.21 -50.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.548 ' CD2' HG13 ' A' ' 86' ' ' VAL . 22.7 m-85 -69.55 -49.12 57.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -40.59 -43.41 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.534 HD13 ' HB3' ' A' ' 53' ' ' LYS . 94.0 mt -67.64 -56.21 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.542 HD11 ' HZ ' ' A' ' 104' ' ' PHE . 1.6 tm? -48.4 -50.74 29.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -48.55 -37.36 17.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -62.54 -30.68 71.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -62.5 -22.59 63.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.482 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.2 m-30 -89.5 -51.9 5.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -14.86 53.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -83.75 -51.08 7.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.441 ' CE ' ' CD1' ' A' ' 45' ' ' PHE . 74.4 mmm -76.47 -52.94 8.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.67 62.35 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.0 t -130.75 97.43 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.75 66.49 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.572 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 41.7 tptt -114.43 134.91 54.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.5 mm -90.24 112.03 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 29.7 mt -86.89 118.37 69.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -74.97 65.19 6.04 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.758 ' O ' HG22 ' A' ' 90' ' ' VAL . 45.6 t -60.91 -67.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 86' ' ' VAL . 19.1 t0 -35.75 -36.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.3 mtpp -84.44 -60.93 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.546 HD13 ' CE1' ' A' ' 68' ' ' PHE . 77.1 mt -43.54 -50.58 7.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 86' ' ' VAL . 30.0 m -58.77 -36.9 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' LYS . 3.8 mmtt -69.45 -21.66 63.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.79 79.23 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.8 OUTLIER -97.85 -3.0 39.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 t80 67.88 -62.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' LYS . 6.0 tt0 -61.69 -48.93 78.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.85 -11.83 49.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.478 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -93.61 -36.17 12.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.489 ' HB2' HG21 ' A' ' 28' ' ' ILE . 2.1 t80 -77.15 -43.09 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -72.1 -13.6 61.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.803 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 19.0 t80 -92.88 -46.73 7.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.723 HG22 ' HE2' ' A' ' 13' ' ' MET . 11.5 p -63.56 -53.43 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.521 ' N ' HG13 ' A' ' 101' ' ' VAL . 7.2 pt20 -44.16 -26.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 46.1 t90 -83.22 -50.65 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 108.0 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.803 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -50.71 -43.21 57.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.535 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 5.5 tttm -62.92 -57.17 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -46.29 -58.49 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -52.27 -55.57 20.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -43.31 -55.81 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.59 -54.76 43.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.12 119.22 3.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -161.55 -73.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.32 3.63 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.5 p -156.13 151.93 27.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.0 m -119.2 154.72 32.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.7 138.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 0.781 . . . . 0.0 109.984 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -76.72 107.25 8.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.021 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.8 124.22 20.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -147.81 156.68 42.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m -99.19 159.92 14.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.02 -87.46 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.128 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 75.64 -56.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 90.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -159.48 -59.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -59.17 -15.78 16.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.65 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.93 -37.76 85.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.518 ' HE2' HG22 ' A' ' 101' ' ' VAL . 45.7 mmm -87.11 -45.61 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.649 HD21 HG12 ' A' ' 28' ' ' ILE . 5.1 mt -51.11 -43.89 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.57 98.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.457 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 20.6 t90 -47.53 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.56 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.6 mp -50.75 -56.22 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -42.06 -46.75 4.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.06 56.02 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -153.23 -44.15 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -130.14 8.28 5.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 66.68 68.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.619 ' N ' HD22 ' A' ' 23' ' ' LEU . 1.2 mm? -102.99 -157.73 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -177.28 65.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.726 HD22 ' HB3' ' A' ' 30' ' ' GLN . 24.9 mt -96.01 148.94 22.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 p -115.18 -16.14 11.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -134.96 143.88 47.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.786 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.8 mm -64.33 -17.05 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.61 1.52 25.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.726 ' HB3' HD22 ' A' ' 25' ' ' LEU . 9.8 mm-40 -80.47 -4.02 52.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -101.46 32.26 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.56 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 13.8 p -93.67 32.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -117.4 -64.72 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.85 43.41 1.54 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -120.0 -52.36 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.736 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.09 -58.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.4 ' CE1' ' HE1' ' A' ' 100' ' ' PHE . 45.1 m-85 -48.82 -60.52 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.659 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.5 m -42.04 -65.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.617 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -43.59 -44.55 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -46.12 88.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.589 ' HB3' HD11 ' A' ' 49' ' ' ILE . 18.1 mmm -58.27 -62.71 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' MET . 2.3 t70 -39.53 -39.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtp -68.38 -46.76 69.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' MET . 52.8 mt -77.18 -65.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 41' ' ' MET . 74.7 m-85 -100.58 108.01 51.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 134.02 17.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.87 39.92 96.89 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 96.2 p -112.66 -30.88 6.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 0.776 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.659 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.2 OUTLIER -113.91 -166.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.495 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -129.58 56.22 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.679 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -40.69 -29.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -89.11 42.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.568 ' HB3' HD13 ' A' ' 70' ' ' ILE . 7.0 ttmt -158.27 -46.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.495 ' CG1' ' CE1' ' A' ' 56' ' ' PHE . 5.6 p -46.39 158.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.47 104.39 13.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.679 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 4.5 m-30 -91.64 27.51 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -156.93 24.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.704 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -64.55 123.92 20.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.601 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -111.97 -8.2 14.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.743 HD12 ' NE2' ' A' ' 62' ' ' HIS . 8.0 mt -113.55 162.95 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.56 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.5 tt0 -70.28 -56.11 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.743 ' NE2' HD12 ' A' ' 60' ' ' LEU . 10.4 p80 -39.67 -37.0 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.62 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.704 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.8 mm-40 -63.14 -59.76 4.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.624 ' HB3' HG12 ' A' ' 90' ' ' VAL . 12.9 m-30 -37.74 -48.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.623 HG13 HG11 ' A' ' 90' ' ' VAL . 1.2 mp -46.8 -66.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -44.64 -54.5 6.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -42.91 -49.1 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.669 ' HB3' HG22 ' A' ' 86' ' ' VAL . 28.2 m-85 -70.1 -45.36 67.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.67 -44.86 6.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.568 HD13 ' HB3' ' A' ' 53' ' ' LYS . 98.0 mt -65.49 -55.13 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 0.9 OUTLIER -45.68 -58.47 3.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.506 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -38.32 -56.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.24 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -38.63 -45.5 1.99 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.2 m-30 -65.18 -55.54 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.753 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.52 58.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -159.67 -44.33 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.9 mmm -92.67 -61.87 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 163.21 66.07 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.681 HG13 ' CZ ' ' A' ' 107' ' ' PHE . 6.4 t -140.99 116.27 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.8 68.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 44.5 tptt -122.15 134.54 54.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.1 mm -97.1 103.79 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.0 HG22 HG23 ' A' ' 86' ' ' VAL . 37.9 mt -69.81 143.03 91.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.743 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.99 -58.18 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.474 1.776 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 1.0 HG23 HG22 ' A' ' 84' ' ' ILE . 67.7 t 64.52 -76.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' PRO . 57.1 t0 -45.69 -25.99 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 86' ' ' VAL . 4.8 mtpp -89.72 -38.27 13.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.51 HD13 ' CE1' ' A' ' 68' ' ' PHE . 15.0 mt -69.13 -52.69 25.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.624 HG12 ' HB3' ' A' ' 64' ' ' TYR . 19.4 m -59.13 -16.41 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -91.31 -10.41 41.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 46.75 75.74 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.2 OUTLIER -102.92 7.55 39.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.747 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.472 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 61.8 t80 63.61 -65.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 93' ' ' LYS . 6.7 tm0? -51.03 -61.33 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.57 -10.8 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.464 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -88.7 -30.94 18.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.504 ' HA ' HG12 ' A' ' 101' ' ' VAL . 4.0 t80 -95.91 -36.06 11.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -72.38 -4.3 29.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.799 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 14.8 t80 -102.74 -43.19 5.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 102' ' ' GLN . 14.2 p -66.02 -54.96 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.558 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -40.38 -47.45 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.247 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 61.4 t90 -62.09 -55.53 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 108.042 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.799 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.6 OUTLIER -45.6 -56.61 4.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.471 ' HD3' ' CE ' ' A' ' 13' ' ' MET . 17.4 tttm -50.93 -61.8 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.33 -56.63 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.681 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 64.2 t80 -56.8 -55.4 34.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -42.68 -53.57 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -58.93 -49.44 77.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.3 t 63.27 139.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.35 -114.55 0.37 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 54.18 3.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.0 m -140.01 165.34 27.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.953 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.0 t -165.69 -57.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.145 . . . . 0.0 110.994 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -120.11 100.73 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 t -131.81 116.67 17.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.89 -164.76 26.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.09 96.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.7 p -169.46 133.57 1.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.41 -120.03 0.08 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -60.84 1.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 0.731 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -94.7 164.64 12.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.32 144.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.8 m80 63.38 10.6 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.589 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -94.22 -32.86 13.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.426 ' CE ' ' HA ' ' A' ' 102' ' ' GLN . 33.9 mmm -90.5 -35.45 15.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mt -49.39 -43.58 44.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -48.32 82.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.544 ' CZ2' ' CZ ' ' A' ' 40' ' ' PHE . 38.4 t90 -45.44 -59.23 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.483 HG22 HD23 ' A' ' 23' ' ' LEU . 2.3 mp -61.91 -61.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' ILE . 56.7 m-20 -39.19 -42.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.33 61.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.4 m -161.71 -43.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.768 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -125.55 2.42 7.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 71.26 60.99 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.768 HD21 ' HB2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -98.62 -157.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -176.02 56.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 30' ' ' GLN . 40.8 mt -80.43 148.41 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -111.57 -17.32 13.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -140.65 162.38 35.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.798 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.5 mm -74.37 -26.39 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -13.47 61.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.643 ' HB3' HD22 ' A' ' 25' ' ' LEU . 6.0 mm-40 -62.94 -14.17 43.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.798 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -94.09 30.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.482 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 26.4 p -94.12 31.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.273 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 p -123.22 -61.0 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.77 52.66 0.89 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.042 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 56' ' ' PHE . . . -123.93 -53.85 1.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.88 -56.1 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -50.48 -59.08 4.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.751 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -43.09 -61.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.624 ' HB3' HD22 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -47.92 -47.51 32.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.544 ' CZ ' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -58.29 -40.21 81.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.571 ' HB3' HD11 ' A' ' 49' ' ' ILE . 15.9 mmm -63.44 -56.63 14.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -48.06 -42.22 28.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -24.07 66.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 41' ' ' MET . 55.2 mt -96.75 -57.17 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.417 ' CD2' ' CE ' ' A' ' 78' ' ' MET . 57.9 m-85 -121.94 109.2 34.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 112.32 3.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.16 -20.88 20.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.9 p -56.17 -35.24 66.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.751 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -118.89 -167.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -134.56 68.31 1.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.706 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -49.63 -23.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.509 ' CE ' ' HA ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -91.8 42.43 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -160.08 -44.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.548 HG11 HD23 ' A' ' 51' ' ' LEU . 7.4 p -48.79 154.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -104.62 101.81 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.706 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.4 m-30 -90.52 27.66 1.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -157.15 24.8 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.583 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -67.02 124.98 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.424 ' C ' HD23 ' A' ' 60' ' ' LEU . 3.1 mmmm -109.49 -16.2 14.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.775 HD12 ' NE2' ' A' ' 62' ' ' HIS . 5.3 mt -100.87 162.23 13.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -74.67 -55.13 6.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.282 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.775 ' NE2' HD12 ' A' ' 60' ' ' LEU . 11.4 p80 -39.31 -34.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.583 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.8 mm-40 -68.21 -55.32 12.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.764 ' HB3' HG12 ' A' ' 90' ' ' VAL . 13.4 m-30 -38.02 -43.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.543 HG13 HG11 ' A' ' 90' ' ' VAL . 2.0 mp -54.3 -69.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -40.19 -54.93 2.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -43.1 -53.13 5.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' HB3' HG22 ' A' ' 86' ' ' VAL . 26.0 m-85 -65.57 -42.7 91.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -45.25 -46.08 12.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.482 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 97.2 mt -64.63 -56.72 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.581 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -49.25 -48.77 45.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.4 -33.75 4.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -70.02 -37.86 75.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -52.63 -20.19 7.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.486 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 4.9 m-30 -89.5 -64.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.776 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.98 -22.42 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -77.56 -37.73 50.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.417 ' CE ' ' CD2' ' A' ' 45' ' ' PHE . 3.9 mmt -88.33 -51.55 5.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 131.44 56.77 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.519 HG12 ' HB3' ' A' ' 82' ' ' LYS . 79.5 t -112.63 118.21 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -82.25 64.35 6.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 22.6 tptt -138.03 120.62 16.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.2 mm -94.52 85.82 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.871 HG22 HG23 ' A' ' 86' ' ' VAL . 42.1 mt -43.25 142.82 1.52 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.727 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.96 -56.55 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.871 HG23 HG22 ' A' ' 84' ' ' ILE . 65.5 t 64.36 -77.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -44.39 -26.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 86' ' ' VAL . 6.9 mtpp -89.3 -39.64 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' VAL . 15.3 mt -68.73 -51.99 35.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.764 HG12 ' HB3' ' A' ' 64' ' ' TYR . 26.5 m -58.66 -16.71 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' GLY . 21.8 mtmt -92.1 22.93 4.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' LYS . . . 37.77 52.56 1.96 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 97' ' ' ASN . 6.8 mtmt -97.78 82.23 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 98' ' ' PHE . 61.9 t80 -37.54 -46.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -47.0 84.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -86.05 4.08 39.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.531 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -105.33 -31.11 9.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.611 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.6 t80 -90.29 -36.45 14.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.01 -7.48 53.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.802 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 4.3 t80 -102.9 -37.42 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.611 HG12 ' HA ' ' A' ' 98' ' ' PHE . 9.3 p -74.41 -39.59 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.426 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 1.7 pt20 -55.38 -26.73 43.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 33.8 t90 -84.46 -50.91 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.802 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -45.35 -55.61 5.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -52.7 -55.28 23.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.1 -63.27 0.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -50.47 -54.25 23.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -48.48 -52.46 22.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -48.94 -48.67 42.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.5 t 58.12 96.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.69 -97.0 0.3 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 53.73 3.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.9 t -171.45 131.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.944 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.93 112.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 m -90.78 161.04 15.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.736 . . . . 0.0 109.998 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.85 147.09 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.01 178.96 17.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.106 . . . . 0.0 110.962 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -118.37 155.8 30.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -114.41 -57.81 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.95 -176.41 1.16 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 63.72 123.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.25 173.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.02 -75.61 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -47.85 -24.12 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.644 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -54.87 -43.87 73.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.598 ' HB2' HD11 ' A' ' 28' ' ' ILE . 65.5 mmm -78.08 -52.01 9.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.893 HD21 HG12 ' A' ' 28' ' ' ILE . 4.1 mt -47.23 -41.76 19.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -66.0 -42.69 89.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.486 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 20.2 t90 -44.93 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.418 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.3 mp -50.61 -58.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' ILE . 78.9 m-20 -39.73 -44.89 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -97.3 61.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -159.19 -46.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.788 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -124.47 -0.21 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER 75.91 68.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.343 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -108.28 -156.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -178.14 53.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 30' ' ' GLN . 20.6 mt -82.52 147.2 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.0 p -112.03 -20.44 11.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -128.86 133.56 48.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.893 HG12 HD21 ' A' ' 14' ' ' LEU . 4.4 mm -54.07 -28.77 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.59 -13.26 29.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' HB3' HD22 ' A' ' 25' ' ' LEU . 18.2 mm-40 -61.49 -15.93 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -94.17 23.97 4.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.0 p -70.89 -23.69 62.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 108.325 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -72.43 -52.86 14.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.61 53.07 2.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' HB1' ' CE1' ' A' ' 56' ' ' PHE . . . -119.6 -48.06 2.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.73 -48.56 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -55.8 -52.02 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.74 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.0 OUTLIER -49.82 -61.45 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 108.341 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.593 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -48.08 -54.35 13.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.471 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -48.88 -46.9 43.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.577 ' HB3' HD11 ' A' ' 49' ' ' ILE . 12.3 mmm -57.33 -63.23 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.23 -31.29 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.13 -34.59 66.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' MET . 92.6 mt -88.29 -57.73 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' MET . 40.8 m-85 -114.6 105.36 53.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.61 5.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.52 25.51 13.58 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.485 1.115 . . . . 0.0 111.023 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.7 p -104.81 -32.71 8.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 0.791 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.74 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -117.6 -167.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -131.31 64.37 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.593 HD21 ' HZ ' ' A' ' 56' ' ' PHE . 1.7 mt -46.59 -25.25 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.61 42.57 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.689 ' HB3' HD13 ' A' ' 70' ' ' ILE . 3.2 ttpt -159.47 -44.95 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.573 HG11 HD23 ' A' ' 51' ' ' LEU . 7.7 p -47.94 151.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -103.28 104.61 14.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.593 ' HZ ' HD21 ' A' ' 51' ' ' LEU . 4.5 m-30 -92.02 16.69 10.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -145.14 23.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -67.78 126.35 29.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.36 -18.47 12.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.776 HD12 ' NE2' ' A' ' 62' ' ' HIS . 6.7 mt -99.18 162.88 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.8 tt0 -74.29 -55.15 6.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.776 ' NE2' HD12 ' A' ' 60' ' ' LEU . 11.3 p80 -39.51 -33.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.609 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.579 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -69.4 -56.1 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.646 ' HB3' HG12 ' A' ' 90' ' ' VAL . 12.7 m-30 -37.17 -49.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.541 HG13 HG11 ' A' ' 90' ' ' VAL . 1.6 mp -47.61 -61.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -45.3 -55.7 5.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -41.37 -51.29 3.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.584 ' HB3' HG22 ' A' ' 86' ' ' VAL . 44.0 m-85 -67.17 -46.02 75.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -42.25 -46.94 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.689 HD13 ' HB3' ' A' ' 53' ' ' LYS . 94.7 mt -65.51 -57.06 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.8 tm? -46.6 -54.83 8.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -43.54 -58.87 2.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.78 -33.83 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -54.23 -34.52 53.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.108 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.5 m-30 -77.27 -46.68 22.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 0.751 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -19.52 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -79.46 -46.71 16.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.453 ' HE2' ' CD2' ' A' ' 45' ' ' PHE . 60.5 mmm -81.64 -66.17 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 146.53 56.84 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.411 HG12 ' HB3' ' A' ' 82' ' ' LYS . 96.3 t -109.7 111.24 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.87 69.2 1.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 48.7 tptt -142.09 122.16 13.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.5 mt -99.48 87.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.775 HG22 HG23 ' A' ' 86' ' ' VAL . 22.2 mt -48.38 139.75 10.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.02 -51.76 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.775 HG23 HG22 ' A' ' 84' ' ' ILE . 95.2 t 65.94 -71.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 1.8 t0 -48.27 -23.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 86' ' ' VAL . 22.4 mtpt -90.97 -35.78 14.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.536 HD13 ' CE1' ' A' ' 68' ' ' PHE . 24.3 mt -74.28 -54.76 7.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.646 HG12 ' HB3' ' A' ' 64' ' ' TYR . 22.7 m -56.34 -18.57 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 12.7 mmmt -77.43 -14.84 59.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.28 35.58 37.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.39 93.57 8.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -45.62 -44.95 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.89 -60.78 3.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -57.35 -18.04 15.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.446 ' HB3' HG22 ' A' ' 28' ' ' ILE . 3.9 m-80 -87.47 -49.55 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.621 ' HA ' HG12 ' A' ' 101' ' ' VAL . 38.1 t80 -65.26 -33.28 75.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -80.25 -8.81 59.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.803 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.2 t80 -104.69 -27.28 11.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.791 HG11 HD12 ' A' ' 28' ' ' ILE . 14.2 p -80.62 -47.09 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.425 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.3 OUTLIER -52.39 -21.37 3.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 64.9 t90 -90.45 -58.21 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.03 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.803 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -43.1 -33.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.486 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 4.5 tmtt? -75.57 -50.87 14.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.08 -58.31 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -54.44 -47.89 72.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 111.013 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 104' ' ' PHE . 2.1 m-85 -54.0 -26.98 28.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.07 28.35 7.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -114.32 170.32 8.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.23 149.31 10.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.65 38.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.1 m 59.93 85.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.9 147.5 51.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.007 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.91 160.44 16.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 0.743 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.14 149.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.7 -116.67 1.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m 64.31 155.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 m -92.72 -49.85 5.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.36 161.82 16.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER 179.69 -62.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 110.301 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 8' ' ' GLN . 1.3 mtt180 40.87 92.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -169.25 -65.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -57.84 -16.08 10.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.624 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -56.08 -52.18 65.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.631 ' HE2' HG22 ' A' ' 101' ' ' VAL . 74.7 mmm -73.53 -53.23 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.606 HD21 HG12 ' A' ' 28' ' ' ILE . 5.0 mt -39.62 -46.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.214 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -65.08 -46.85 79.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.545 ' CH2' ' HA ' ' A' ' 105' ' ' LYS . 29.9 t90 -44.15 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 107.985 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mp -50.52 -59.0 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 21' ' ' LEU . 86.4 m-20 -43.41 -79.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -40.7 -68.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.45 ' CB ' ' CZ ' ' A' ' 40' ' ' PHE . 66.9 m -38.28 -38.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.464 HD22 ' CD ' ' A' ' 39' ' ' GLN . 54.4 mt -114.52 -130.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.479 ' H ' HD22 ' A' ' 23' ' ' LEU . 3.9 mm-40 -145.68 43.91 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD22 ' H ' ' A' ' 22' ' ' GLN . 2.9 mm? -99.84 -167.77 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.405 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 26.5 t30 -166.8 39.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.476 HD22 ' HB3' ' A' ' 30' ' ' GLN . 20.9 mt -57.44 143.6 39.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.438 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.5 t -102.75 -26.1 13.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -127.86 163.87 23.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.734 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.4 mm -74.68 -32.05 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -15.29 22.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.476 ' HB3' HD22 ' A' ' 25' ' ' LEU . 12.1 mm-40 -61.92 -13.99 30.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -91.9 29.2 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.3 p -92.86 19.28 7.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 108.279 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 p -110.21 -59.0 1.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.01 47.77 2.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.562 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -118.48 -54.3 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.82 -58.42 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -45.89 -50.34 14.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.703 ' SG ' HG21 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -50.02 -54.4 20.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 108.276 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.464 ' CD ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -51.66 -58.61 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.45 ' CZ ' ' CB ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -44.01 -48.76 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.556 ' HB3' HD11 ' A' ' 49' ' ' ILE . 24.1 mmm -55.95 -60.09 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.83 -43.42 6.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.8 ttp -61.33 -37.26 82.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' A' ' 108' ' ' PHE . 52.6 mt -84.17 -67.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' MET . 35.2 m-85 -111.15 105.93 57.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 121.67 6.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.91 -21.53 37.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.3 p -58.22 -31.79 67.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.703 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -117.92 -171.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -128.63 61.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.646 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -43.33 -27.32 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.32 42.4 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HB3' HD13 ' A' ' 70' ' ' ILE . 15.2 ttpt -160.88 -44.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.523 HG11 HD23 ' A' ' 51' ' ' LEU . 6.7 p -47.31 146.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 4.2 mmtp -103.89 93.17 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.646 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 4.0 m-30 -73.16 -34.93 66.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.02 40.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' A' ' 55' ' ' LYS . . . -86.39 131.38 34.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.432 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -116.88 -30.96 5.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.86 153.42 27.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.561 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -66.51 -56.7 9.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.655 ' HA ' HD13 ' A' ' 65' ' ' ILE . 13.4 p80 -37.72 -38.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.593 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.457 ' HG2' ' CE1' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -62.09 -59.61 4.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 12.2 m-30 -38.05 -50.81 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.655 HD13 ' HA ' ' A' ' 62' ' ' HIS . 3.4 mp -42.84 -63.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ASN . 9.2 mt-30 -51.77 -55.09 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 66' ' ' GLN . 1.5 m-20 -37.65 -46.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.613 ' CD2' HG13 ' A' ' 86' ' ' VAL . 37.3 m-85 -72.57 -47.04 51.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -41.39 -42.47 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.606 HG22 HG22 ' A' ' 49' ' ' ILE . 96.0 mt -68.25 -55.62 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.9 tm? -51.96 -54.36 30.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.643 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -46.91 -40.18 13.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -64.18 -33.47 75.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -54.35 -31.51 50.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.477 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.3 m-30 -77.78 -53.77 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -26.13 44.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -72.56 -45.0 61.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.5 mmt -82.0 -56.36 4.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 75' ' ' PHE . . . 138.9 56.92 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.413 HG12 ' HB3' ' A' ' 82' ' ' LYS . 76.6 t -124.97 101.17 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.96 65.3 6.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 45.6 tptt -116.71 121.3 41.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.6 mm -78.91 114.8 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.643 HD12 ' HG2' ' A' ' 72' ' ' GLN . 16.8 mt -87.14 122.09 71.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.2 Cg_endo -75.04 65.93 6.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.526 1.803 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.843 ' O ' HG22 ' A' ' 90' ' ' VAL . 55.9 t -63.08 -64.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -38.91 -30.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.0 mtpp -90.45 -60.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 100' ' ' PHE . 81.3 mt -44.21 -45.17 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 86' ' ' VAL . 31.6 m -63.84 -36.18 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 88' ' ' LYS . 13.8 mttp -66.33 -24.78 66.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.42 100.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.81 27.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 96' ' ' ASP . 39.4 t80 53.08 177.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.424 ' N ' ' CD2' ' A' ' 94' ' ' PHE . 0.3 OUTLIER 65.56 -69.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 94' ' ' PHE . 2.4 m-20 -61.64 -16.27 47.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.436 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 1.6 m-80 -90.43 -37.1 14.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.526 ' HA ' HG12 ' A' ' 101' ' ' VAL . 1.8 t80 -80.42 -40.97 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.07 -7.53 36.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.816 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 13.8 t80 -100.3 -50.1 4.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.631 HG22 ' HE2' ' A' ' 13' ' ' MET . 8.7 p -58.8 -55.62 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.546 ' N ' HG13 ' A' ' 101' ' ' VAL . 1.4 pp0? -39.54 -47.82 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 64.9 t90 -62.43 -55.77 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 107.991 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.816 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.5 OUTLIER -46.82 -51.63 16.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.545 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 3.6 tmtt? -55.21 -64.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.56 -55.4 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -55.01 -50.23 69.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.534 ' CD2' HD11 ' A' ' 44' ' ' LEU . 1.5 m-85 -53.76 -54.62 35.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -41.13 -51.75 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.8 t 61.91 126.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 165.17 100.81 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.92 5.46 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.792 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.1 t -168.45 91.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.2 p -93.26 147.37 22.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.42 155.71 30.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.94 155.15 31.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.45 87.79 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -158.53 132.92 8.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 0.783 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.05 -59.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.049 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.32 148.31 8.94 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -52.87 4.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 0.771 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -89.62 177.54 6.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.511 ' NH1' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER 68.6 -66.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.272 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -13.97 24.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.625 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.77 -54.95 40.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.426 ' O ' HD12 ' A' ' 17' ' ' ILE . 78.1 mmm -66.34 -52.46 46.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD11 ' NH1' ' A' ' 10' ' ' ARG . 5.1 mt -43.55 -42.96 5.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.36 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.74 91.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.523 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 42.4 t90 -49.73 -48.93 49.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.677 HG23 HD12 ' A' ' 21' ' ' LEU . 2.9 mp -74.22 -62.45 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 26.3 m-20 -40.42 -60.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.95 53.31 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.5 m -172.25 -40.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.801 HD22 ' HB3' ' A' ' 39' ' ' GLN . 80.5 mt -115.71 -1.01 12.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 23' ' ' LEU . 2.2 mt-30 65.76 11.22 7.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD23 ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -53.48 -172.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -158.41 72.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 30' ' ' GLN . 16.2 mt -112.68 141.52 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.831 HG23 ' HG3' ' A' ' 27' ' ' LYS . 1.7 t -101.62 -27.84 12.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.831 ' HG3' HG23 ' A' ' 26' ' ' THR . 2.5 mtpm? -121.89 165.34 16.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.697 HD12 HG11 ' A' ' 101' ' ' VAL . 3.9 mm -75.63 -38.81 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.03 -20.01 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.716 ' HB3' HD22 ' A' ' 25' ' ' LEU . 10.4 mm-40 -58.56 -17.02 18.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -92.59 29.72 1.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.481 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 30.8 p -93.47 20.53 7.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p -108.47 -61.97 1.52 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.6 48.72 1.01 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.23 -54.88 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.65 -63.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -41.27 -55.29 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.689 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.1 m -46.11 -60.19 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.801 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.39 -59.07 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.495 ' CE2' ' CZ3' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -44.16 -53.4 6.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.525 ' HB3' HD11 ' A' ' 49' ' ' ILE . 22.5 mmm -52.49 -61.18 2.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' MET . 1.2 t70 -39.63 -43.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 ttm -62.62 -47.39 83.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.453 HD11 ' CD2' ' A' ' 108' ' ' PHE . 83.0 mt -72.27 -64.79 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' MET . 53.0 m-85 -115.88 103.72 53.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.43 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.55 -27.54 12.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.2 p -55.36 -29.88 59.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 0.756 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.689 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -118.81 -170.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -133.9 67.55 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.763 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -50.18 -22.84 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.78 39.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -157.85 -45.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.651 HG11 HD23 ' A' ' 51' ' ' LEU . 5.6 p -46.09 153.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -102.73 99.05 8.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.763 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.1 m-85 -88.54 32.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -168.03 30.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.233 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -74.76 132.71 41.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.479 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -111.51 -31.38 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.832 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.52 155.34 23.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -67.82 -54.02 22.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 16.2 p80 -39.81 -36.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.597 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.702 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -64.23 -53.43 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.763 ' HB3' HG12 ' A' ' 90' ' ' VAL . 8.7 m-30 -43.55 -41.35 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.549 HG13 HG11 ' A' ' 90' ' ' VAL . 1.1 mp -56.5 -69.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.487 ' N ' HG22 ' A' ' 65' ' ' ILE . 15.4 mt-30 -42.47 -52.96 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -42.71 -51.9 5.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' HB3' HG22 ' A' ' 86' ' ' VAL . 23.5 m-85 -66.96 -44.0 81.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -44.0 -44.07 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.9 mt -66.2 -57.86 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.8 tm? -48.9 -46.89 43.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.3 -46.38 25.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.6 -28.99 66.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -58.72 -20.5 47.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.49 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.3 m-30 -94.18 -58.13 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -54.95 -28.52 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 72.7 mtt-85 -72.75 -39.39 66.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.9 mmt -85.61 -67.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 147.91 52.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.476 HG12 ' HB3' ' A' ' 82' ' ' LYS . 51.4 t -108.29 119.71 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.48 66.86 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 23.1 tptt -141.08 111.5 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.4 mm -90.2 84.64 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.869 HG22 HG23 ' A' ' 86' ' ' VAL . 59.3 mt -41.94 139.83 1.6 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.2 Cg_endo -75.02 -52.51 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.869 HG23 HG22 ' A' ' 84' ' ' ILE . 98.7 t 65.31 -73.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 43.4 t0 -45.4 -25.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 86' ' ' VAL . 3.5 mtpp -88.83 -39.12 14.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' VAL . 14.9 mt -70.43 -55.71 8.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.763 HG12 ' HB3' ' A' ' 64' ' ' TYR . 24.1 m -54.65 -30.08 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 8.1 mmmt -72.9 -23.26 60.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.04 70.7 1.02 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -102.46 12.63 36.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 97' ' ' ASN . 46.9 t80 57.51 -80.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' LYS . 54.7 tt0 -46.3 -55.52 7.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -52.79 -21.14 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.508 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -91.47 -56.5 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.64 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.6 t80 -57.04 -39.09 74.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.422 ' HG3' ' CG ' ' A' ' 95' ' ' GLN . 30.7 mm-40 -76.03 -4.75 43.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.0 t80 -108.1 -32.87 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.697 HG11 HD12 ' A' ' 28' ' ' ILE . 14.5 p -76.99 -44.06 31.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.6 pt20 -55.98 -23.37 32.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 28.2 t90 -87.81 -44.23 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.044 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -56.6 -25.56 53.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 5.2 tmtt? -85.24 -54.12 4.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -51.75 25.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -56.41 -54.94 39.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.453 ' CD2' HD11 ' A' ' 44' ' ' LEU . 1.7 m-85 -45.72 -49.42 14.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.2 -57.04 5.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.3 t -151.31 139.65 20.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -153.7 93.03 0.13 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 54.11 3.51 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.5 114.87 20.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.2 m 63.38 -89.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -110.02 86.66 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -166.34 103.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.15 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.79 66.49 0.48 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 p -91.07 -57.71 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.979 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -68.88 122.5 18.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.92 56.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -171.67 113.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -52.2 176.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.575 ' NH1' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER 69.99 -71.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -55.56 -18.89 8.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.616 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -54.83 -52.29 63.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.465 ' HB2' HD11 ' A' ' 28' ' ' ILE . 85.5 mmm -70.5 -53.25 16.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.575 HD11 ' NH1' ' A' ' 10' ' ' ARG . 4.1 mt -42.53 -42.45 3.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -46.16 90.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.523 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 26.7 t90 -46.16 -77.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.596 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.1 mp -46.95 -53.91 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -43.9 -46.3 7.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.63 59.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -157.37 -44.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.963 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.781 ' HB2' HD21 ' A' ' 23' ' ' LEU . 1.3 mt -128.99 4.36 5.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.449 ' C ' HD22 ' A' ' 23' ' ' LEU . 0.7 OUTLIER 70.39 71.71 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.781 HD21 ' HB2' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -107.24 -159.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -176.9 68.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.702 HD22 ' HB3' ' A' ' 30' ' ' GLN . 58.0 mt -98.0 145.09 26.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.922 HG23 ' HG3' ' A' ' 27' ' ' LYS . 9.5 t -105.89 -21.88 13.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.922 ' HG3' HG23 ' A' ' 26' ' ' THR . 45.1 mtpt -128.96 158.4 38.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.763 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.2 mm -74.62 -28.92 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -66.57 -9.88 39.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.702 ' HB3' HD22 ' A' ' 25' ' ' LEU . 12.8 mm-40 -66.31 -10.7 45.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -93.44 27.14 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.5 p -94.47 32.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 108.336 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 p -116.87 -49.81 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.13 49.05 3.62 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' ALA . . . -123.74 -57.31 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -38.58 -56.92 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -49.64 -56.82 8.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.756 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -44.78 -68.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.747 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -41.0 -53.26 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -49.21 58.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.635 ' HB3' HD11 ' A' ' 49' ' ' ILE . 14.7 mmm -54.34 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -44.02 -33.08 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -72.38 -40.19 67.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' MET . 94.2 mt -83.98 -64.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' MET . 82.9 m-85 -101.78 109.82 60.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.3 7.79 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.08 40.45 13.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.482 ' C ' HD13 ' A' ' 49' ' ' ILE . 22.2 p -112.6 -34.1 5.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.013 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.756 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -120.65 -176.99 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -122.25 66.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.654 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.3 mt -46.4 -25.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' O ' ' CD ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.47 41.43 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -160.58 -44.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.635 HG11 HD23 ' A' ' 51' ' ' LEU . 5.8 p -47.15 153.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -104.09 100.6 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.654 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.1 m-85 -89.76 36.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -172.09 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.693 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -71.07 131.4 43.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -116.48 -7.09 11.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.783 HD12 ' NE2' ' A' ' 62' ' ' HIS . 6.9 mt -114.66 154.42 28.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.2 mt-10 -65.41 -54.23 31.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.783 ' NE2' HD12 ' A' ' 60' ' ' LEU . 17.7 p80 -39.75 -33.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.618 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.693 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -68.87 -60.22 2.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.68 ' HB3' HG12 ' A' ' 90' ' ' VAL . 14.2 m-30 -37.01 -42.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 66' ' ' GLN . 1.1 mp -53.33 -72.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.532 ' N ' HG22 ' A' ' 65' ' ' ILE . 15.9 mt-30 -42.33 -54.11 3.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' GLN . 3.0 m-20 -39.92 -53.36 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CD2' HG13 ' A' ' 86' ' ' VAL . 14.0 m-85 -66.49 -45.17 80.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -42.89 -43.98 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.673 HG22 HG22 ' A' ' 49' ' ' ILE . 95.0 mt -66.54 -55.21 19.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.537 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -50.42 -52.44 37.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.414 ' NE2' HG13 ' A' ' 84' ' ' ILE . 2.5 tp60 -50.71 -37.98 44.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -65.92 -22.66 66.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -71.19 -17.53 75.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.48 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.2 m-30 -89.65 -49.27 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -36.57 82.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -56.84 -50.68 71.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.4 mmm -79.42 -66.24 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 156.83 65.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.426 ' HB ' ' CB ' ' A' ' 75' ' ' PHE . 78.1 t -135.28 113.38 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -95.49 67.0 2.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 43.4 tptt -117.1 123.91 47.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.8 mm -79.15 109.82 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.537 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 17.9 mt -83.49 118.63 72.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -75.03 65.91 6.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.77 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.905 ' O ' HG22 ' A' ' 90' ' ' VAL . 39.2 t -64.24 -63.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' VAL . 43.6 t0 -39.32 -30.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 91' ' ' LYS . 24.5 mtpt -90.96 -59.49 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.506 HD13 ' CE1' ' A' ' 68' ' ' PHE . 73.5 mt -44.32 -42.97 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.905 HG22 ' O ' ' A' ' 86' ' ' VAL . 35.3 m -68.19 -35.41 71.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 88' ' ' LYS . 9.2 mtpt -71.96 -15.14 62.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.3 64.31 2.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 96' ' ' ASP . 14.7 mmtt -99.52 84.26 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -37.88 -34.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.461 ' CG ' ' OE2' ' A' ' 99' ' ' GLU . 27.8 tt0 -70.12 -50.29 42.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.448 ' OD2' ' CB ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -85.21 9.71 14.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.518 ' HB3' HG22 ' A' ' 28' ' ' ILE . 1.4 m-80 -107.51 -31.5 8.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.49 ' HA ' HG12 ' A' ' 101' ' ' VAL . 3.8 t80 -94.69 -32.66 13.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.461 ' OE2' ' CG ' ' A' ' 95' ' ' GLN . 41.9 mt-10 -80.7 -11.13 59.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.806 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 1.3 t80 -97.22 -33.48 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 98' ' ' PHE . 8.4 p -77.02 -36.96 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 9.8 pt20 -60.8 -29.29 69.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 21.9 t90 -82.17 -45.69 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 107.988 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.806 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -52.53 -44.27 65.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 13.1 tttt -61.96 -60.42 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.8 -60.23 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -53.4 -46.43 69.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.33 -31.98 68.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.3 28.48 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.7 124.24 10.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -61.51 -69.18 1.37 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 169.77 21.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.6 t 43.61 85.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.54 155.97 32.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -168.07 89.07 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.4 135.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.93 -168.74 45.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -100.85 126.54 47.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -166.28 147.88 6.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.37 -147.67 17.14 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -142.3 -56.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -76.6 176.99 7.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 0.1 OUTLIER 68.94 -68.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 110.317 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -61.42 -14.27 26.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.564 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -53.57 -60.28 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.547 ' HE2' HG22 ' A' ' 101' ' ' VAL . 82.5 mmm -63.15 -54.19 41.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 14' ' ' LEU . 5.0 mt -40.82 -44.76 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.79 -49.62 77.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 38.5 t90 -46.35 -59.81 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.04 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.48 HG22 HD23 ' A' ' 23' ' ' LEU . 3.5 mp -61.19 -59.91 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -40.28 -45.22 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.39 55.12 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -155.98 -44.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.73 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -131.32 7.86 4.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 64.9 46.72 2.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.259 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.605 HD21 HD12 ' A' ' 21' ' ' LEU . 1.9 mm? -67.23 -177.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.5 54.16 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.805 HD22 ' HB3' ' A' ' 30' ' ' GLN . 24.1 mt -99.18 145.46 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.453 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 64.4 p -113.87 -22.59 10.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -127.62 165.85 19.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.746 ' O ' HD12 ' A' ' 31' ' ' LEU . 5.7 mm -74.93 -31.72 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -18.15 57.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.805 ' HB3' HD22 ' A' ' 25' ' ' LEU . 14.9 mm-40 -60.42 -15.2 24.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -93.06 28.74 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 25.7 p -88.43 -2.28 58.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 p -85.5 -63.3 1.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.7 45.56 1.63 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.565 1.165 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HB1' ' CE1' ' A' ' 56' ' ' PHE . . . -115.68 -53.4 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -40.1 -58.74 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -45.86 -54.19 8.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.763 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.2 m -50.57 -68.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.73 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -41.49 -46.78 3.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.436 ' CE2' ' CH2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -56.37 -47.42 78.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.595 ' HB3' HD11 ' A' ' 49' ' ' ILE . 15.7 mmm -58.01 -62.28 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -40.91 -33.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -44.71 52.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.495 HD12 ' CE2' ' A' ' 108' ' ' PHE . 89.0 mt -80.9 -65.73 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' MET . 34.8 m-85 -98.71 109.35 52.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 137.56 21.94 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.436 1.756 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.35 42.02 97.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 92.2 p -113.32 -30.04 7.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.763 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -118.14 -170.19 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.56 57.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.534 HD23 ' CG1' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -44.82 -25.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -88.15 39.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HB3' HD13 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -157.83 -45.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.534 ' CG1' HD23 ' A' ' 51' ' ' LEU . 5.3 p -45.51 161.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' N ' HG22 ' A' ' 54' ' ' VAL . 37.2 mmtt -115.83 101.68 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.522 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.3 m-85 -89.35 32.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -162.92 29.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.715 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -66.63 125.28 25.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.457 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -107.59 -7.24 16.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.752 HD12 ' NE2' ' A' ' 62' ' ' HIS . 9.4 mt -119.98 158.47 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.58 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -68.34 -55.33 12.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.752 ' NE2' HD12 ' A' ' 60' ' ' LEU . 14.5 p80 -38.48 -32.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.715 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 2.4 mm-40 -69.52 -57.26 5.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.58 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 13.2 m-30 -37.96 -49.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.586 HG13 HG11 ' A' ' 90' ' ' VAL . 1.2 mp -42.74 -65.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -44.95 -53.75 7.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -42.98 -49.48 5.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.588 ' HB3' HG22 ' A' ' 86' ' ' VAL . 44.8 m-85 -70.77 -46.94 62.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -45.09 -43.38 9.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.512 HG22 HG22 ' A' ' 49' ' ' ILE . 93.6 mt -67.79 -58.2 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.552 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.2 tm? -43.11 -54.1 4.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 75' ' ' PHE . 4.7 tp60 -38.18 -49.62 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -44.59 -47.74 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.478 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -40.4 -42.89 2.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 m-30 -71.06 -62.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -70.19 60.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.453 ' CG ' ' O ' ' A' ' 76' ' ' LYS . 43.2 mtt-85 -164.91 -42.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.428 ' HG3' ' CD2' ' A' ' 45' ' ' PHE . 44.4 mmm -95.44 -37.54 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 136.61 69.31 0.06 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.414 ' HB ' ' CB ' ' A' ' 75' ' ' PHE . 5.2 t -148.23 126.64 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -117.13 64.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.572 ' HE2' ' CE3' ' A' ' 103' ' ' TRP . 27.9 tptt -111.34 134.87 52.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.3 mm -86.29 109.78 19.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.552 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 16.9 mt -82.5 115.64 59.26 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.3 Cg_endo -75.05 64.09 6.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.783 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.842 ' O ' HG22 ' A' ' 90' ' ' VAL . 25.6 t -59.17 -61.88 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.467 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 2.2 t0 -39.05 -40.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 91' ' ' LYS . 20.4 mtpp -81.21 -60.73 2.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.516 HD13 ' CE1' ' A' ' 68' ' ' PHE . 82.4 mt -42.9 -52.38 5.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.842 HG22 ' O ' ' A' ' 86' ' ' VAL . 21.5 m -62.44 -34.49 64.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -75.05 -14.0 60.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' LYS . . . 64.15 75.95 0.33 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.6 OUTLIER -95.15 6.86 47.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 0.736 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.447 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 40.3 t80 57.03 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -48.67 -52.54 22.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -16.89 15.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.637 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -91.67 -35.26 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.481 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.5 t80 -80.5 -37.45 31.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -78.42 -7.84 57.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.812 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 4.4 t80 -101.2 -34.22 9.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 102' ' ' GLN . 14.4 p -73.64 -54.89 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.56 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -41.82 -32.2 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.572 ' CE3' ' HE2' ' A' ' 82' ' ' LYS . 71.5 t90 -77.79 -56.43 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.052 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.812 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -44.55 -40.8 5.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.475 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 4.3 tmtt? -68.06 -53.97 21.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -58.28 5.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -52.36 -59.32 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.495 ' CE2' HD12 ' A' ' 44' ' ' LEU . 2.0 m-85 -39.61 -58.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -54.0 -52.99 59.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.1 t -45.81 144.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.985 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.36 147.64 6.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 154.63 42.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.781 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.5 t 45.34 88.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.8 m -143.85 117.84 9.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.568 1.168 . . . . 0.0 110.964 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t -140.37 -57.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.93 108.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.61 158.35 27.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -154.75 133.6 12.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 0.767 . . . . 0.0 109.982 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -173.51 134.79 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.9 175.2 14.0 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -113.84 -46.38 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 110.324 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.12 175.8 7.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 70.7 -59.96 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.238 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 15' ' ' ALA . 25.7 t-80 -72.39 -4.95 33.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.608 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -64.37 -35.6 81.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.472 ' SD ' HG13 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -88.08 -50.51 6.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.9 mt -45.6 -45.9 14.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.577 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . . . -61.05 -45.93 92.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.515 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 25.0 t90 -46.6 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 107.972 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.593 HG22 HD23 ' A' ' 23' ' ' LEU . 2.7 mp -55.61 -58.51 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 17' ' ' ILE . 96.6 m-20 -40.05 -46.35 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.63 56.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.443 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 61.6 m -152.58 -44.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -129.25 5.33 5.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 71.77 68.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 21' ' ' LEU . 1.1 mm? -108.16 -158.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -171.85 58.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 30' ' ' GLN . 23.2 mt -78.86 140.75 38.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.91 -30.05 8.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.77 147.52 50.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.746 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.7 mm -60.1 -17.49 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.06 -4.48 38.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.79 ' HB3' HD22 ' A' ' 25' ' ' LEU . 9.1 mm-40 -71.29 -13.4 61.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.99 27.02 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.9 p -81.69 -19.14 42.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 108.272 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 p -72.4 -63.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.86 48.45 1.62 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.492 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -118.07 -48.92 2.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -40.12 -54.23 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -50.87 -56.68 11.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.699 ' SG ' HG21 ' A' ' 49' ' ' ILE . 0.9 OUTLIER -44.49 -65.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.338 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.696 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -45.44 -60.1 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -42.89 -53.84 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.563 ' HB3' HD11 ' A' ' 49' ' ' ILE . 12.3 mmm -49.15 -63.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.25 -44.27 2.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -60.91 -42.16 97.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' MET . 93.1 mt -77.38 -61.63 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' MET . 97.3 m-85 -108.72 109.81 61.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 111.45 3.33 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.6 42.01 4.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.7 p -115.09 -33.62 5.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.699 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -114.77 -175.11 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.453 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -119.97 60.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.595 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -44.18 -27.1 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.87 42.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.655 ' HB3' HD13 ' A' ' 70' ' ' ILE . 8.9 ttpt -160.74 -44.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.518 HG11 HD23 ' A' ' 51' ' ' LEU . 6.8 p -46.19 153.37 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 14.7 mmtt -109.51 99.31 8.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.595 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 4.5 m-30 -81.91 -25.91 34.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -99.92 29.68 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.558 ' HB2' ' HB3' ' A' ' 55' ' ' LYS . . . -76.62 126.08 30.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.25 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' C ' HD13 ' A' ' 60' ' ' LEU . 7.6 mmmt -112.03 -32.87 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.843 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -79.81 162.09 25.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.71 ' O ' HD12 ' A' ' 65' ' ' ILE . 2.1 tt0 -78.11 -42.45 31.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.621 ' CD2' ' HG2' ' A' ' 63' ' ' GLU . 20.4 p-80 -52.16 -26.86 12.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.579 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.621 ' HG2' ' CD2' ' A' ' 62' ' ' HIS . 1.5 mm-40 -74.49 -55.99 5.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.75 ' HB3' HG12 ' A' ' 90' ' ' VAL . 11.9 m-30 -36.73 -47.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.71 HD12 ' O ' ' A' ' 61' ' ' GLU . 2.9 mp -47.21 -66.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -43.02 -54.61 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -40.36 -55.05 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.519 ' HB3' HG22 ' A' ' 86' ' ' VAL . 48.9 m-85 -64.78 -46.82 80.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.27 -46.28 3.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.655 HD13 ' HB3' ' A' ' 53' ' ' LYS . 90.2 mt -67.14 -56.79 12.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.574 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -47.13 -49.27 22.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.36 -45.08 35.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.84 -26.53 64.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -65.11 -26.84 71.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.564 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.0 m-30 -84.61 -47.95 10.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -24.06 66.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.5 mtt-85 -77.43 -56.79 4.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.1 mmt -65.3 -57.01 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.83 45.94 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.51 HG13 ' CZ ' ' A' ' 107' ' ' PHE . 95.2 t -96.99 107.18 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.37 69.35 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' CB ' ' CH2' ' A' ' 103' ' ' TRP . 41.7 tptt -142.58 139.19 31.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mt -111.56 93.7 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.979 HG22 HG23 ' A' ' 86' ' ' VAL . 48.0 mt -53.17 138.37 47.16 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.55 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.1 Cg_endo -74.98 -53.85 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.979 HG23 HG22 ' A' ' 84' ' ' ILE . 97.4 t 65.33 -74.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -35.43 -42.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -49.6 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 68' ' ' PHE . 61.1 mt -53.12 -59.74 4.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.75 HG12 ' HB3' ' A' ' 64' ' ' TYR . 35.7 m -53.95 -29.75 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 8.9 mmmt -76.47 -21.59 55.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.58 76.95 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 95' ' ' GLN . 4.7 mtmt -108.69 23.02 15.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 45.3 t80 55.95 -84.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -44.78 -60.81 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -45.14 -25.73 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.502 ' O ' HG12 ' A' ' 101' ' ' VAL . 0.9 OUTLIER -90.33 -51.12 5.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.558 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.3 t80 -59.47 -39.33 83.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.38 -2.25 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.809 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 5.6 t80 -110.53 -40.35 4.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.706 HG11 HD12 ' A' ' 28' ' ' ILE . 6.1 p -71.06 -35.76 60.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.472 ' CG ' ' O ' ' A' ' 98' ' ' PHE . 1.5 pp0? -63.92 -40.56 96.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CH2' ' CB ' ' A' ' 82' ' ' LYS . 41.6 t90 -69.59 -55.03 11.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.809 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -42.89 -45.61 5.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.515 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 12.5 tttp -61.87 -56.45 19.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.35 -50.09 9.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.51 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 47.8 t80 -63.39 -56.64 14.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -44.86 -43.94 9.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.35 -42.13 86.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.9 t 62.14 -84.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -177.33 110.27 0.3 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 53.93 3.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.0 88.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.1 t -92.27 -59.37 2.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.1 p -157.89 79.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.86 135.69 35.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.88 -70.45 0.43 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.22 150.43 38.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.963 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.95 152.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.72 -179.17 20.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 179.52 124.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 110.309 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.97 171.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.87 -70.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.255 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -20.9 3.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -57.77 -48.01 80.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.582 ' HB2' HD11 ' A' ' 28' ' ' ILE . 72.4 mmm -74.58 -51.94 13.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.867 HD21 HG12 ' A' ' 28' ' ' ILE . 3.9 mt -44.95 -42.27 8.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.69 98.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 15.4 t90 -46.06 -75.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.54 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.7 mp -48.88 -57.23 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -41.19 -45.14 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.28 60.14 1.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.432 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 12.0 m -157.82 -44.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -128.91 4.83 5.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.32 72.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.653 ' N ' HD22 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -109.79 -157.72 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -175.67 52.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 30' ' ' GLN . 51.0 mt -82.12 149.13 28.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.3 p -113.93 -18.55 11.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.377 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.57 143.01 50.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.867 HG12 HD21 ' A' ' 14' ' ' LEU . 3.6 mm -62.26 -30.07 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' CG ' ' HA ' ' A' ' 94' ' ' PHE . 6.9 mt-10 -62.01 -13.74 28.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.794 ' HB3' HD22 ' A' ' 25' ' ' LEU . 23.4 mm-40 -63.92 -16.59 61.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -93.31 28.84 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.0 p -87.38 1.55 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 p -91.82 -32.58 15.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.17 50.69 26.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.621 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -119.97 -50.95 2.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.97 -58.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -47.25 -52.37 16.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.713 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -49.51 -65.71 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 108.313 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.61 ' HB3' HD22 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -48.34 -45.5 35.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.479 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -58.07 -37.35 74.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.599 ' HB3' HD11 ' A' ' 49' ' ' ILE . 17.8 mmm -68.42 -66.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 41' ' ' MET . 0.4 OUTLIER -38.02 -31.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' MET . 2.0 ttp -75.97 -51.79 11.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.511 HD12 ' CE2' ' A' ' 108' ' ' PHE . 78.8 mt -71.53 -53.66 13.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 41' ' ' MET . 60.0 m-85 -107.96 113.42 61.01 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 126.52 10.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.428 1.752 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.72 54.13 33.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 45' ' ' PHE . 2.5 p -121.13 -35.61 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.713 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -111.35 -165.8 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -132.48 61.06 1.67 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.663 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.9 mt -45.69 -25.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.484 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -89.94 40.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.525 ' HB3' HD13 ' A' ' 70' ' ' ILE . 15.9 ttpt -158.59 -45.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.609 HG11 HD23 ' A' ' 51' ' ' LEU . 5.3 p -47.91 156.95 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.549 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 1.3 mmpt? -115.69 87.49 2.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.663 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.2 m-85 -69.07 -32.66 72.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -95.46 39.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.665 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -86.69 130.46 34.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -111.87 -31.42 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.82 156.57 26.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.57 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -68.76 -54.25 17.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 15.9 p80 -39.85 -37.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.576 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.665 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.1 mm-40 -63.43 -53.84 45.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.752 ' HB3' HG12 ' A' ' 90' ' ' VAL . 8.7 m-30 -42.93 -43.27 4.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.546 HG13 HG11 ' A' ' 90' ' ' VAL . 1.1 mp -54.91 -68.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.435 ' N ' HG22 ' A' ' 65' ' ' ILE . 5.5 mt-30 -42.33 -53.15 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.5 m-20 -42.55 -53.19 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.588 ' HB3' HG22 ' A' ' 86' ' ' VAL . 28.7 m-85 -66.24 -44.75 82.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -43.63 -43.49 5.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.546 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 95.7 mt -69.38 -55.64 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.511 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 2.0 tm? -48.58 -54.8 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.0 -37.51 4.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -64.26 -40.47 96.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -45.77 -41.11 9.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.158 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.558 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 5.3 m-30 -63.62 -56.6 14.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -70.26 60.29 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 75' ' ' PHE . 40.3 mtt180 -160.13 -57.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 30.1 mmm -79.37 -63.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.52 66.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.1 t -140.39 123.08 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -113.44 65.82 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 33.7 tptt -120.7 127.84 52.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.2 mm -87.42 105.04 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.929 HG22 HG23 ' A' ' 86' ' ' VAL . 10.9 mt -70.35 142.81 89.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.247 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.731 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -74.94 -56.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.929 HG23 HG22 ' A' ' 84' ' ' ILE . 70.5 t 63.79 -77.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.514 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 2.0 m-20 -41.09 -35.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -80.59 -42.53 22.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.372 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 86' ' ' VAL . 20.9 mt -64.23 -57.57 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.752 HG12 ' HB3' ' A' ' 64' ' ' TYR . 26.1 m -55.0 -31.7 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 6.5 mmmt -74.37 -3.39 30.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 47.33 71.73 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' GLN . 1.7 mmmt -101.93 9.34 40.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' ASN . 51.0 t80 57.36 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -45.17 -58.81 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -48.3 -24.28 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.462 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -89.24 -38.48 14.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.618 ' HA ' HG12 ' A' ' 101' ' ' VAL . 21.5 t80 -72.01 -37.33 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -77.37 -7.87 56.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.808 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.7 t80 -104.96 -32.28 8.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.712 HG11 HD12 ' A' ' 28' ' ' ILE . 14.9 p -75.74 -46.09 36.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.409 ' N ' HG13 ' A' ' 101' ' ' VAL . 9.2 pt20 -52.17 -24.61 7.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.565 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 70.5 t90 -86.62 -58.49 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 107.996 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.808 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -44.92 -36.07 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.508 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 6.0 tmtt? -73.98 -54.86 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -52.72 19.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -60.67 -52.76 63.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.511 ' CE2' HD12 ' A' ' 44' ' ' LEU . 1.6 m-85 -44.06 -52.07 7.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -44.69 -61.14 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.88 -78.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 125.75 -88.28 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.0 42.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.3 t -111.89 107.92 17.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.4 m -88.97 112.66 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.7 p -174.37 93.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 0.782 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.48 157.33 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.79 -92.21 0.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -48.97 -60.64 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.5 p -59.24 151.42 23.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.949 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.91 111.85 3.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -100.37 -55.75 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.27 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -121.4 163.73 18.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 67.23 137.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 71.73 2.97 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -87.1 -43.65 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.616 ' HE2' HG22 ' A' ' 101' ' ' VAL . 70.8 mmm -79.83 -43.32 22.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.549 HD21 HG12 ' A' ' 28' ' ' ILE . 5.2 mt -41.95 -43.5 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.35 84.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.497 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 31.1 t90 -47.92 -62.1 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 107.981 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.493 HG22 ' HB2' ' A' ' 23' ' ' LEU . 3.4 mp -57.19 -58.71 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.3 m-20 -42.35 -45.91 4.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.73 49.91 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.7 m -149.97 -45.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.038 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.774 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -132.72 7.8 4.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 67.58 43.99 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.547 ' CD2' HD12 ' A' ' 21' ' ' LEU . 1.7 mm? -66.79 -178.02 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.04 58.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.905 HD22 ' HB3' ' A' ' 30' ' ' GLN . 28.9 mt -98.98 144.83 27.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.693 HG23 ' HG2' ' A' ' 27' ' ' LYS . 7.9 t -113.86 -25.25 8.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.438 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.693 ' HG2' HG23 ' A' ' 26' ' ' THR . 24.3 mmtm -131.01 140.29 50.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.587 HD12 HG11 ' A' ' 101' ' ' VAL . 2.2 mm -46.77 -48.37 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -40.14 -29.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.905 ' HB3' HD22 ' A' ' 25' ' ' LEU . 23.8 mm-40 -48.83 -22.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.529 HD11 HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -91.59 31.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' GLU . 23.0 p -89.91 -15.15 32.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 108.323 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.8 p -78.88 -61.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.88 51.5 0.95 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.489 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -113.36 -55.68 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.75 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -38.56 -59.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -43.6 -48.55 7.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.691 ' SG ' HG21 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -55.25 -65.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.774 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -49.65 -51.36 38.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.501 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -50.16 -44.9 52.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.574 ' HB3' HD11 ' A' ' 49' ' ' ILE . 12.3 mmm -58.87 -59.26 5.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.56 -40.74 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -32.9 74.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 41' ' ' MET . 87.3 mt -91.42 -70.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' MET . 86.4 m-85 -98.08 109.47 51.89 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.51 11.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.84 38.77 41.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p -112.83 -31.24 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.002 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.691 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -119.29 -177.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -121.38 64.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.631 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -46.32 -27.21 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 43.75 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -162.36 -44.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.539 HG11 ' HE1' ' A' ' 56' ' ' PHE . 6.8 p -49.49 149.61 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 12.3 mmtm -107.92 87.83 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.631 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.4 m-30 -66.88 -40.84 87.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.16 44.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.643 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -87.61 127.82 35.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' C ' HD13 ' A' ' 60' ' ' LEU . 1.8 mtpp -111.06 -32.19 6.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.02 158.22 25.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.587 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -68.87 -55.95 9.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 12.9 p80 -38.98 -39.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.605 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.643 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -59.35 -56.25 24.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.587 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 7.5 m-30 -41.77 -52.15 4.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.044 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.636 ' H ' HD12 ' A' ' 65' ' ' ILE . 3.6 mp -45.9 -69.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 67' ' ' ASN . 13.6 mt-30 -41.52 -57.83 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.2 m-20 -39.67 -53.11 2.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.687 ' HB3' HG22 ' A' ' 86' ' ' VAL . 41.1 m-85 -66.2 -45.98 78.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -42.59 -42.02 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 90.4 mt -71.85 -56.9 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.602 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.9 tm? -47.77 -50.68 24.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -48.24 -40.33 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.48 78.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.03 -24.97 22.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.485 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 6.8 m-30 -85.5 -57.82 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -18.09 34.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -75.83 -43.18 47.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 48.9 mmm -90.05 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.06 69.25 0.01 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.441 HG12 ' HB3' ' A' ' 82' ' ' LYS . 55.8 t -121.57 107.99 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.4 70.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.573 ' CG ' ' CH2' ' A' ' 103' ' ' TRP . 47.2 tptt -145.13 137.05 25.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mt -116.1 91.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.705 HG22 HG23 ' A' ' 86' ' ' VAL . 47.7 mt -53.78 141.37 47.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.05 -49.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.705 HG23 HG22 ' A' ' 84' ' ' ILE . 99.1 t 65.65 -71.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.6 OUTLIER -45.42 -25.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.436 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.4 mtpp -92.15 -38.01 12.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.554 HD11 ' CE2' ' A' ' 100' ' ' PHE . 55.9 mt -73.1 -18.44 61.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 86' ' ' VAL . 6.3 m -101.96 12.04 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -111.11 -13.31 14.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.42 59.36 10.95 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.7 OUTLIER -94.43 9.03 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 0.786 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 97' ' ' ASN . 75.5 t80 58.08 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -46.05 -59.18 3.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.296 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -19.43 8.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.579 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -90.18 -20.17 23.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.467 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.6 t80 -97.24 -41.52 8.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -71.07 -4.53 25.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.793 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 14.7 t80 -102.05 -47.7 4.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.616 HG22 ' HE2' ' A' ' 13' ' ' MET . 10.0 p -61.31 -55.41 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.546 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -38.57 -45.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CH2' ' CG ' ' A' ' 82' ' ' LYS . 64.6 t90 -67.04 -61.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 107.952 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.793 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -38.4 -37.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.519 ' CB ' ' HE1' ' A' ' 13' ' ' MET . 4.4 tmtt? -70.09 -62.7 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.98 -50.15 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -63.59 -45.19 91.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.434 ' CE2' HD12 ' A' ' 44' ' ' LEU . 1.2 m-85 -55.83 -33.69 64.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.07 24.77 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.46 120.59 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -170.88 96.51 0.11 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.33 38.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.77 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.38 113.56 25.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.5 p -138.1 -59.13 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.035 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.9 p 48.71 90.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 0.803 . . . . 0.0 109.978 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.81 163.14 35.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.026 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.565 ' HA2' ' CE1' ' A' ' 11' ' ' HIS . . . -160.67 108.55 0.36 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.05 -53.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 109.975 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.24 -47.7 68.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.34 139.83 3.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -121.42 -39.08 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -116.4 140.35 49.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.475 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 0.3 OUTLIER 75.21 -61.08 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.565 ' CE1' ' HA2' ' A' ' 4' ' ' GLY . 33.6 t-80 -68.49 -8.44 41.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.605 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -69.96 -37.73 75.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.59 ' HE1' ' CB ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -81.97 -49.25 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.479 HD13 ' C ' ' A' ' 26' ' ' THR . 8.2 mt -42.98 -46.01 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.35 82.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' MET . 23.1 t90 -46.86 -69.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 108.009 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.809 HG22 HD23 ' A' ' 23' ' ' LEU . 3.2 mp -54.12 -59.04 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 17' ' ' ILE . 94.5 m-20 -39.66 -47.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.86 61.61 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.458 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 47.1 m -161.64 -42.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.75 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -128.38 5.48 5.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 68.5 66.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.809 HD23 HG22 ' A' ' 17' ' ' ILE . 1.1 mm? -106.47 -159.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -169.53 56.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 30' ' ' GLN . 28.2 mt -81.95 145.62 30.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.479 ' C ' HD13 ' A' ' 14' ' ' LEU . 68.2 p -113.4 -23.3 9.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -131.15 161.01 33.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.802 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.8 mm -75.86 -27.56 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.28 -8.33 31.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.474 ' HB3' HD22 ' A' ' 25' ' ' LEU . 6.8 mm-40 -69.53 -14.26 62.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.58 28.31 3.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.4 p -77.6 -20.02 54.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 108.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 p -73.64 -61.5 1.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.08 55.99 1.09 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.508 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -121.1 -46.81 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.16 -52.2 7.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -52.75 -49.43 65.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.734 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.1 m -51.21 -54.35 26.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 108.316 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.608 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -55.84 -57.58 11.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.458 ' CZ ' ' OG ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -45.05 -39.01 5.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.601 ' HB3' HD11 ' A' ' 49' ' ' ILE . 12.9 mmm -65.34 -63.59 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.84 -36.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -42.42 69.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.615 HD12 ' CE2' ' A' ' 108' ' ' PHE . 59.8 mt -83.25 -69.41 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 41' ' ' MET . 50.7 m-85 -89.47 112.14 49.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 123.0 7.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.13 51.68 32.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.448 ' C ' HD13 ' A' ' 49' ' ' ILE . 2.9 p -117.99 -33.17 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.77 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.734 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -117.66 -172.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.62 67.44 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.726 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.3 mt -48.7 -24.17 1.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.67 41.24 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -161.04 -43.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.571 HG11 HD23 ' A' ' 51' ' ' LEU . 7.4 p -49.44 151.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 3.3 mmtt -101.84 101.5 11.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.726 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.1 m-85 -90.29 39.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -178.03 37.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -74.51 135.33 42.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.564 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -115.87 -9.65 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.708 HD12 ' NE2' ' A' ' 62' ' ' HIS . 4.0 mt -108.24 157.11 18.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.8 mt-10 -70.53 -56.95 5.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.708 ' NE2' HD12 ' A' ' 60' ' ' LEU . 10.6 p80 -38.77 -31.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.537 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.528 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 2.0 mm-40 -70.79 -59.7 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.604 ' HB3' HG12 ' A' ' 90' ' ' VAL . 13.9 m-30 -36.34 -43.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.728 HG13 HG11 ' A' ' 90' ' ' VAL . 1.2 mp -53.78 -67.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ASN . 11.9 mt-30 -42.7 -56.0 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 3.0 m-20 -39.76 -52.19 2.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.645 ' HB3' HG22 ' A' ' 86' ' ' VAL . 37.8 m-85 -68.1 -44.74 75.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -44.18 -48.2 9.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.645 HG22 HG22 ' A' ' 49' ' ' ILE . 89.1 mt -62.19 -56.42 17.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.627 HD11 ' HZ ' ' A' ' 104' ' ' PHE . 1.7 tm? -47.36 -55.23 9.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -43.0 -62.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.17 -33.17 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -53.57 -23.63 21.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.464 ' CD2' ' CG1' ' A' ' 80' ' ' VAL . 8.8 m-30 -87.59 -60.76 1.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -53.94 -25.8 22.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -68.51 -55.32 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 62.8 mmm -76.02 -70.21 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.53 60.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.464 ' CG1' ' CD2' ' A' ' 75' ' ' PHE . 24.5 t -125.86 103.32 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -80.01 71.48 6.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.579 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 44.1 tptt -126.96 135.34 50.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.1 mm -100.97 104.79 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.006 HG22 HG23 ' A' ' 86' ' ' VAL . 69.7 mt -74.93 143.63 78.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.767 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -74.96 -60.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.782 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 1.006 HG23 HG22 ' A' ' 84' ' ' ILE . 62.7 t 65.2 -77.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.9 OUTLIER -42.34 -27.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.8 mtpp -88.35 -44.13 11.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' VAL . 16.7 mt -65.24 -47.97 74.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.728 HG11 HG13 ' A' ' 65' ' ' ILE . 23.1 m -61.43 -31.99 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 92' ' ' GLY . 0.8 OUTLIER -70.63 -8.72 53.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' LYS . . . 35.74 87.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -141.01 24.85 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' ASP . 34.3 t80 49.52 178.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 66.16 -68.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 94' ' ' PHE . 44.0 m-20 -53.52 -20.61 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.861 ' O ' HG12 ' A' ' 101' ' ' VAL . 1.1 m-80 -90.35 -44.15 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.508 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.6 t80 -68.87 -35.77 77.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -78.13 -7.11 56.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.806 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 1.6 t80 -107.12 -46.45 3.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 97' ' ' ASN . 4.4 p -60.31 -41.04 85.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -52.58 -47.16 67.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.579 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 69.2 t90 -62.42 -59.05 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.023 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.806 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.4 OUTLIER -42.85 -39.04 2.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.59 ' CB ' ' HE1' ' A' ' 13' ' ' MET . 0.0 OUTLIER -70.93 -61.82 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -52.14 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -56.77 -53.18 60.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.615 ' CE2' HD12 ' A' ' 44' ' ' LEU . 3.0 m-85 -53.32 -35.45 60.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.03 27.43 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 61.6 p -42.65 -51.2 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.31 97.69 0.19 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -44.74 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.557 1.819 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.5 p -155.49 100.48 2.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.066 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.2 p -90.12 128.47 36.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -134.33 152.82 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 110.008 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 m -75.38 122.79 24.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.69 93.56 0.12 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -172.43 134.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m -142.0 -54.28 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.22 88.17 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.112 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.71 -57.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.01 91.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -168.54 -63.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -15.05 18.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.593 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.02 -39.46 81.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.466 ' CE ' ' HD3' ' A' ' 105' ' ' LYS . 65.3 mmm -87.71 -52.28 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.648 HD21 HG12 ' A' ' 28' ' ' ILE . 5.9 mt -40.29 -45.6 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -63.13 -48.04 80.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.552 ' CE2' ' CZ ' ' A' ' 40' ' ' PHE . 33.5 t90 -44.4 -68.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.0 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.514 HG23 HD12 ' A' ' 21' ' ' LEU . 1.5 mp -51.63 -59.89 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' LEU . 92.7 m-20 -43.81 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -38.53 -71.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.472 ' CB ' ' CZ ' ' A' ' 40' ' ' PHE . 20.8 m -38.12 -45.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' A' ' 39' ' ' GLN . 47.1 mt -104.32 -133.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -144.54 40.38 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -94.58 -168.72 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -170.3 44.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 30' ' ' GLN . 20.8 mt -71.84 148.01 46.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.492 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 19.9 p -105.14 -15.81 14.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.405 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -132.42 163.91 27.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.77 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.4 mm -78.44 -33.7 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.35 -14.24 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.603 ' HB3' HD22 ' A' ' 25' ' ' LEU . 6.3 mm-40 -64.45 -12.21 41.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -93.02 32.39 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.554 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 17.1 p -91.42 37.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 p -126.75 -63.23 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.05 46.2 1.39 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.697 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -119.13 -51.87 2.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.84 -59.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -46.66 -51.53 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.783 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -49.81 -50.27 45.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.542 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -55.01 -56.27 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.552 ' CZ ' ' CE2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -49.88 -39.11 38.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.577 ' HB3' HD11 ' A' ' 49' ' ' ILE . 22.6 mmm -64.22 -62.16 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -46.34 -34.74 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -35.84 74.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.492 HD12 ' CE2' ' A' ' 108' ' ' PHE . 74.3 mt -85.79 -62.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' MET . 91.0 m-85 -106.91 109.27 63.01 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.87 29.52 20.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.4 p -100.98 -34.35 9.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.783 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -115.05 -166.6 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -128.43 60.5 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.67 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 1.1 mt -45.94 -25.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.44 40.45 1.01 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.494 ' HB3' HD13 ' A' ' 70' ' ' ILE . 18.9 ttpt -158.61 -45.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.518 HG11 HD23 ' A' ' 51' ' ' LEU . 5.6 p -46.11 153.76 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.434 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 2.9 mmpt? -110.88 93.6 4.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.697 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 3.9 m-30 -74.55 -30.69 61.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -98.72 40.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -85.39 131.57 34.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' C ' HD13 ' A' ' 60' ' ' LEU . 4.4 mtmt -113.99 -30.67 6.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.36 158.66 22.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.589 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.0 mt-10 -70.68 -55.05 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 12.7 p80 -39.36 -39.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.556 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.5 mm-40 -57.82 -62.16 2.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.589 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 7.2 m-30 -38.3 -53.55 1.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.54 ' H ' HD12 ' A' ' 65' ' ' ILE . 2.3 mp -39.05 -63.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 67' ' ' ASN . 12.1 mt-30 -51.24 -54.2 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.3 m-20 -40.19 -47.0 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.514 ' CD2' HG13 ' A' ' 86' ' ' VAL . 35.8 m-85 -71.17 -45.15 64.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -43.31 -47.05 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.658 HG22 HG22 ' A' ' 49' ' ' ILE . 89.1 mt -64.31 -57.4 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.572 HD11 ' HZ ' ' A' ' 104' ' ' PHE . 1.7 tm? -45.99 -55.69 6.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -48.61 -41.69 31.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -60.7 -27.83 68.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -63.93 -28.82 73.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.476 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.4 m-30 -79.86 -48.7 13.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.76 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -18.59 56.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.5 mtt-85 -81.12 -48.3 12.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.7 mmt -76.34 -56.9 4.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.73 53.84 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.5 t -122.24 112.17 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 65.72 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.558 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 39.4 tptt -113.85 133.79 55.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.7 mm -87.49 110.26 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.53 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 23.2 mt -84.48 115.8 62.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.5 Cg_endo -74.99 67.66 5.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.965 ' O ' HG22 ' A' ' 90' ' ' VAL . 46.9 t -64.94 -58.82 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.03 -28.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 91' ' ' LYS . 40.7 mtpt -95.2 -58.55 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 79.8 mt -45.88 -41.8 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.965 HG22 ' O ' ' A' ' 86' ' ' VAL . 29.5 m -71.12 -32.51 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 88' ' ' LYS . 11.9 mttt -72.04 -12.67 61.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.71 50.63 6.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -88.11 83.16 7.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.278 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.678 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -34.63 -55.28 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -55.15 -48.34 73.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.228 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER -79.95 3.48 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -99.51 -41.65 7.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.668 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.4 t80 -84.91 -36.62 21.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -72.36 -4.22 28.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 8.9 t80 -107.31 -40.42 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.668 HG12 ' HA ' ' A' ' 98' ' ' PHE . 10.9 p -70.09 -43.41 79.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.2 pt20 -54.41 -23.21 14.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.558 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 47.7 t90 -87.14 -53.78 4.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 108.02 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -46.13 -38.01 7.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.525 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 2.5 ttpm? -66.94 -44.51 80.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -54.7 32.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.07 -19.51 44.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.492 ' CE2' HD12 ' A' ' 44' ' ' LEU . 3.9 m-85 -93.39 29.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.01 -51.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.7 t -87.8 95.69 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 159.53 88.92 0.07 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.62 42.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 m -158.87 126.36 4.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.039 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.97 -58.88 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.14 -58.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.989 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.66 168.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.071 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.9 -163.8 10.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -151.95 149.07 28.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.4 p -131.74 150.91 52.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.14 -171.11 16.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 63.56 115.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -45.16 156.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.47 ' HD2' ' CE1' ' A' ' 94' ' ' PHE . 2.2 mtp85 71.51 135.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 74.87 1.34 3.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.61 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -90.36 -39.5 12.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.523 ' SD ' HG13 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -80.41 -33.51 36.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 mt -50.77 -45.71 59.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -48.12 79.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.457 ' CH2' ' CE2' ' A' ' 40' ' ' PHE . 30.5 t90 -45.84 -61.63 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 108.027 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.476 HG22 HD23 ' A' ' 23' ' ' LEU . 2.4 mp -61.89 -61.27 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' ILE . 62.6 m-20 -38.13 -44.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.94 60.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.6 m -159.18 -44.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.663 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -126.83 1.89 6.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER 72.72 72.16 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.665 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -110.82 -158.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -172.16 59.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 30' ' ' GLN . 68.9 mt -83.68 148.26 27.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -115.32 -18.69 10.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -131.8 167.25 19.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.9 ' O ' HD12 ' A' ' 31' ' ' LEU . 6.2 mm -81.2 -34.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.49 -11.93 38.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.779 ' HB3' HD22 ' A' ' 25' ' ' LEU . 4.4 mm-40 -62.02 -13.94 30.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.9 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -93.81 28.3 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.416 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 27.7 p -92.57 40.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.297 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -126.2 -64.33 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.93 48.77 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -123.62 -55.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.97 -60.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -45.32 -51.6 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.777 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.2 m -49.28 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 108.269 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.654 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -42.06 -46.02 4.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.458 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -58.26 -41.5 84.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.604 ' HB3' HD11 ' A' ' 49' ' ' ILE . 7.5 mmm -63.59 -63.57 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -29.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -75.29 -43.08 53.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 41' ' ' MET . 95.2 mt -77.49 -49.46 14.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CD1' ' CE ' ' A' ' 78' ' ' MET . 92.7 m-85 -123.57 109.28 30.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 124.28 8.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.6 33.41 22.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -108.67 -35.26 6.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.044 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.777 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -114.43 -167.59 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.463 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -129.57 65.68 1.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.724 HD23 HG11 ' A' ' 54' ' ' VAL . 1.9 mt -51.6 -22.02 3.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -90.59 38.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HB3' HD13 ' A' ' 70' ' ' ILE . 5.5 ttpt -159.13 -44.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.724 HG11 HD23 ' A' ' 51' ' ' LEU . 6.3 p -47.04 150.57 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 34.5 mmtt -104.78 102.53 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.614 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.2 m-85 -89.22 31.47 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -162.46 27.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -69.83 130.14 41.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.489 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -111.45 -30.95 7.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.832 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -83.89 165.35 18.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.697 ' O ' HD12 ' A' ' 65' ' ' ILE . 3.3 tt0 -81.25 -40.75 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.629 ' CD2' ' HG2' ' A' ' 63' ' ' GLU . 17.7 p-80 -53.26 -30.65 39.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.595 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.629 ' HG2' ' CD2' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -68.75 -57.25 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 12.2 m-30 -37.53 -47.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 61' ' ' GLU . 2.1 mp -43.9 -68.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ASN . 4.5 mt-30 -47.87 -56.49 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.6 m-20 -39.51 -47.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 89' ' ' LEU . 20.3 m-85 -72.1 -47.38 51.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -42.56 -49.55 5.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 53' ' ' LYS . 88.9 mt -58.69 -58.08 8.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.556 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.5 tm? -47.76 -53.19 16.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.402 ' NE2' HG13 ' A' ' 84' ' ' ILE . 1.8 tp60 -50.33 -43.74 54.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -58.09 -28.15 64.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.83 -33.18 86.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.542 1.151 . . . . 0.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 7.9 m-30 -75.21 -49.34 19.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -17.08 58.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -83.51 -54.72 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.406 ' CE ' ' CD1' ' A' ' 45' ' ' PHE . 97.2 mmm -68.94 -60.05 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 146.54 57.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.5 t -128.71 117.23 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -97.03 61.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.541 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 42.5 tptt -112.07 126.76 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.4 mm -82.28 109.91 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.556 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 18.5 mt -81.81 119.72 75.98 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.576 ' HD2' ' CD2' ' A' ' 100' ' ' PHE . 18.4 Cg_endo -74.97 63.08 5.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.794 ' O ' HG22 ' A' ' 90' ' ' VAL . 40.2 t -61.57 -62.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 86' ' ' VAL . 1.6 t0 -39.84 -31.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' A' ' 91' ' ' LYS . 27.1 mtpp -89.59 -59.84 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 68' ' ' PHE . 81.1 mt -43.92 -41.15 5.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 86' ' ' VAL . 24.5 m -71.23 -36.25 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 88' ' ' LYS . 42.6 mttt -70.48 -14.31 62.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.06 64.82 2.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 96' ' ' ASP . 5.6 mmpt? -103.85 82.77 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.47 ' CE1' ' HD2' ' A' ' 10' ' ' ARG . 55.9 t80 -37.73 -31.95 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' LYS . 66.3 tt0 -69.55 -50.96 39.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.227 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.495 ' OD2' ' CB ' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -83.59 6.37 20.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.575 ' O ' HG12 ' A' ' 101' ' ' VAL . 1.0 OUTLIER -104.41 -41.72 5.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.491 ' CD2' HG13 ' A' ' 28' ' ' ILE . 2.5 t80 -80.9 -36.63 30.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -77.64 -10.74 59.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.335 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.808 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.8 t80 -95.91 -37.09 10.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 97' ' ' ASN . 6.5 p -76.09 -28.93 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.46 -28.42 68.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.541 ' CZ3' ' HG2' ' A' ' 82' ' ' LYS . 57.5 t90 -84.62 -56.56 3.54 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.808 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -42.19 -45.71 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.57 -60.32 3.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.26 -53.36 10.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -57.49 -51.73 68.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -47.71 -46.78 29.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -56.44 -51.04 69.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.4 t 60.23 116.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -133.99 -85.97 0.25 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.426 1.079 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 164.4 33.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.798 . . . . 0.0 111.026 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.0 t -149.11 117.67 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.947 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.86 -58.49 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.976 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.58 102.31 13.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 110.036 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.45 108.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.39 -146.12 4.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -48.33 -56.58 7.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.053 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -40.96 144.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.39 -125.33 4.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.77 -63.02 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -75.54 167.78 21.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 2.8 mtm105 70.84 -66.27 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -57.85 -16.8 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.602 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -61.53 -41.52 97.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' TRP . 55.2 mmm -78.32 -51.99 9.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.2 mt -42.93 -42.99 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.02 -46.39 90.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CD2' ' HG3' ' A' ' 105' ' ' LYS . 28.6 t90 -45.61 -69.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 107.994 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mp -54.13 -58.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -40.23 -45.41 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.54 60.19 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.5 m -159.05 -43.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.771 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -130.45 7.34 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 65.91 75.09 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.64 ' N ' HD22 ' A' ' 23' ' ' LEU . 1.2 mm? -109.68 -159.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -173.41 65.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -95.48 141.25 29.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.678 HG23 ' HG2' ' A' ' 27' ' ' LYS . 2.9 t -101.16 -27.08 13.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HG2' HG23 ' A' ' 26' ' ' THR . 11.1 mmtp -126.4 167.7 15.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.571 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.9 mm -76.54 -45.38 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.17 -24.24 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' N ' ' C ' ' A' ' 28' ' ' ILE . 8.6 mm-40 -49.26 -22.35 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -91.59 32.33 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 25.5 p -92.73 21.22 5.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 108.326 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 p -110.0 -60.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.11 47.58 1.32 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -117.54 -55.83 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.78 -59.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -46.07 -52.94 11.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.811 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -52.3 -66.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.35 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.771 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -44.21 -47.66 9.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.403 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -57.38 -46.17 83.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.617 ' HB3' HD11 ' A' ' 49' ' ' ILE . 7.2 mmm -54.73 -60.74 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -44.45 -40.58 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -36.54 84.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 111.018 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' MET . 95.4 mt -82.33 -54.84 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -118.09 112.48 38.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.48 2.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.79 33.79 6.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.5 p -103.69 -35.8 8.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 0.733 . . . . 0.0 110.021 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.811 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -115.4 -166.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -127.74 62.03 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.649 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -42.51 -28.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.14 44.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.62 ' HB3' HD13 ' A' ' 70' ' ' ILE . 7.3 ttpp -161.36 -45.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 56' ' ' PHE . 5.8 p -47.2 154.61 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 58' ' ' ALA . 26.5 mmtt -110.51 100.56 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.649 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 5.8 m-30 -82.29 -35.12 28.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 111.011 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -91.57 28.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.629 ' HB2' ' HB3' ' A' ' 55' ' ' LYS . . . -74.61 126.48 30.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' C ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -112.62 -32.56 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.836 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -79.0 167.55 20.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.693 ' O ' HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -82.83 -42.5 17.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.628 ' CD2' ' HG2' ' A' ' 63' ' ' GLU . 20.1 p-80 -51.6 -28.52 14.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.618 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.628 ' HG2' ' CD2' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -72.54 -55.49 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 61' ' ' GLU . 11.8 m-30 -37.75 -47.57 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.693 HD12 ' O ' ' A' ' 61' ' ' GLU . 3.6 mp -48.49 -69.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -40.77 -56.06 2.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -40.5 -54.4 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.595 ' HB3' HG22 ' A' ' 86' ' ' VAL . 40.7 m-85 -64.89 -44.8 88.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.41 -44.84 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.63 HG22 HG22 ' A' ' 49' ' ' ILE . 98.9 mt -68.26 -57.06 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.4 tm? -42.58 -50.51 5.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.375 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -50.37 -43.79 54.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -58.33 -23.46 56.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.75 -25.01 76.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.63 ' CD2' HG11 ' A' ' 80' ' ' VAL . 6.3 m-30 -86.18 -46.32 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.971 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -33.77 70.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -69.03 -56.79 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.3 mmt -65.48 -70.24 0.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 148.5 48.04 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.63 HG11 ' CD2' ' A' ' 75' ' ' PHE . 24.9 t -101.81 113.94 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.26 68.2 10.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.562 ' CB ' ' CH2' ' A' ' 103' ' ' TRP . 23.5 tptt -134.43 120.95 20.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.8 mm -88.23 91.96 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.966 HG22 HG23 ' A' ' 86' ' ' VAL . 74.0 mt -55.22 142.25 58.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -75.01 -58.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.966 HG23 HG22 ' A' ' 84' ' ' ILE . 62.7 t 64.29 -78.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.501 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -44.05 -27.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.422 ' N ' ' C ' ' A' ' 86' ' ' VAL . 2.8 mtpp -86.38 -41.85 14.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' VAL . 13.9 mt -67.75 -56.56 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.644 HG11 HG13 ' A' ' 65' ' ' ILE . 9.7 m -54.09 -23.3 9.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 12.4 mmmt -81.85 -23.76 36.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 65.99 77.87 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.575 ' O ' ' N ' ' A' ' 95' ' ' GLN . 0.3 OUTLIER -109.52 -0.18 18.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.484 ' CD2' ' N ' ' A' ' 95' ' ' GLN . 8.1 t80 60.95 -67.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.575 ' N ' ' O ' ' A' ' 93' ' ' LYS . 3.2 tp60 -52.71 -32.15 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.408 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -92.97 11.73 26.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.467 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -119.52 -40.73 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.459 ' HA ' HG12 ' A' ' 101' ' ' VAL . 4.7 t80 -74.71 -30.78 61.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -83.89 -13.51 53.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.736 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.2 t80 -97.36 -23.69 15.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.555 HG11 HD12 ' A' ' 28' ' ' ILE . 12.0 p -83.27 -53.92 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.549 ' N ' HG13 ' A' ' 101' ' ' VAL . 3.0 pt20 -51.46 -21.9 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.562 ' CH2' ' CB ' ' A' ' 82' ' ' LYS . 8.5 t90 -88.6 -33.92 17.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.005 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.736 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.2 OUTLIER -70.58 -34.22 71.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.465 ' HG3' ' CD2' ' A' ' 16' ' ' TRP . 7.3 tmtt? -73.61 -49.68 24.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -52.12 55.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -59.67 -50.82 72.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 44' ' ' LEU . 1.8 m-85 -49.3 -49.25 44.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.73 -50.07 69.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 t 59.97 117.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -93.37 -120.46 3.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.85 15.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.469 1.773 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.94 153.05 44.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.4 p -176.65 -57.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.37 78.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -155.54 97.17 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.55 -73.21 0.48 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 t -177.92 155.82 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.58 141.53 3.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.16 -94.97 1.98 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.434 1.084 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER 57.9 101.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER 42.57 -166.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 67.63 -69.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.261 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' ARG . 10.1 t-80 -57.48 -17.38 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.592 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -53.77 -46.6 71.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.542 ' HE2' HG22 ' A' ' 101' ' ' VAL . 70.9 mmm -76.02 -54.36 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 14' ' ' LEU . 6.1 mt -39.76 -45.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' GLU . . . -64.54 -47.67 77.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' MET . 26.6 t90 -42.65 -66.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mp -57.86 -62.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -40.82 -78.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -39.99 -69.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' GLU . 74.8 m -36.39 -50.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.943 HD22 ' NE2' ' A' ' 39' ' ' GLN . 89.0 mt -100.09 -126.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.613 ' H ' HD22 ' A' ' 23' ' ' LEU . 40.9 mt-30 -150.13 48.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.613 HD22 ' H ' ' A' ' 22' ' ' GLN . 2.4 mm? -105.85 -164.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -167.63 37.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 30' ' ' GLN . 19.4 mt -51.26 147.84 5.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.433 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 69.1 p -115.1 -19.5 10.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.409 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -130.81 150.53 51.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.814 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.3 mm -68.36 -18.52 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.2 -7.47 55.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.509 ' HB3' HD22 ' A' ' 25' ' ' LEU . 13.6 mm-40 -68.7 -8.38 42.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.814 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -95.55 30.16 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.6 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 20.3 p -94.17 34.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 2.9 p -122.24 -64.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.02 44.32 1.52 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.145 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -120.32 -53.28 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -39.36 -53.71 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -53.55 -58.75 6.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.771 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -43.01 -54.69 4.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.321 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.943 ' NE2' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -48.07 -59.41 3.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.95 -48.39 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.042 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.607 ' HB3' HD11 ' A' ' 49' ' ' ILE . 24.3 mmm -55.25 -61.63 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.07 -33.21 11.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -27.19 63.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.649 HD12 ' CE2' ' A' ' 108' ' ' PHE . 89.5 mt -95.93 -59.54 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' MET . 44.3 m-85 -115.19 109.85 46.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 119.8 5.78 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.85 -22.26 35.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.4 p -52.9 -38.26 61.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.771 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -115.52 -164.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 52' ' ' LYS . . . -134.45 64.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.591 HD21 ' HZ ' ' A' ' 56' ' ' PHE . 1.6 mt -44.63 -27.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -90.24 42.52 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -161.44 -44.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.552 HG11 HD23 ' A' ' 51' ' ' LEU . 6.5 p -48.39 145.61 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 5.1 mmtt -103.01 94.52 5.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.591 ' HZ ' HD21 ' A' ' 51' ' ' LEU . 4.1 m-30 -74.56 -40.3 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -90.52 42.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.574 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -83.89 128.92 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' C ' HD13 ' A' ' 60' ' ' LEU . 6.2 mtmt -113.59 -31.8 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.817 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.76 156.57 24.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.4 tt0 -68.35 -54.63 16.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 15.2 p80 -39.34 -39.24 0.63 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.576 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.574 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 1.4 mm-40 -60.34 -58.23 9.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 32' ' ' CYS . 11.9 m-30 -39.6 -45.87 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.686 HG13 HG11 ' A' ' 90' ' ' VAL . 1.4 mp -51.43 -70.31 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -42.84 -52.97 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 2.4 m-20 -42.42 -51.55 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.563 ' HB3' HG22 ' A' ' 86' ' ' VAL . 30.4 m-85 -67.47 -43.64 80.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -43.99 -45.93 8.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.6 HG22 HG22 ' A' ' 49' ' ' ILE . 93.2 mt -65.13 -56.55 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -47.39 -51.62 19.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.661 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -46.5 -38.09 8.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -67.18 -35.5 79.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -52.29 -21.81 9.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.425 ' CZ ' ' CZ ' ' A' ' 104' ' ' PHE . 8.1 m-30 -90.14 -63.05 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -49.44 -27.66 4.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 76' ' ' LYS . 67.2 mtt180 -74.63 -52.43 11.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.7 mmt -68.01 -67.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 153.71 44.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.782 HG22 ' CZ ' ' A' ' 107' ' ' PHE . 55.4 t -113.1 121.32 65.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -94.71 62.62 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.562 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 45.6 tptt -116.31 134.9 54.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.5 mm -100.25 102.28 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.958 HG22 HG23 ' A' ' 86' ' ' VAL . 59.8 mt -71.83 142.64 85.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.736 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.3 Cg_endo -74.98 -59.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.958 HG23 HG22 ' A' ' 84' ' ' ILE . 66.1 t 66.28 -79.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.513 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -35.18 -41.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -53.17 10.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 97' ' ' ASN . 34.2 mt -55.29 -58.78 6.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.686 HG11 HG13 ' A' ' 65' ' ' ILE . 19.4 m -50.8 -31.97 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -73.93 -32.9 63.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 99.35 44.2 2.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 97' ' ' ASN . 37.1 mttt -85.79 82.06 8.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -36.43 -56.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.574 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -53.24 -48.07 68.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.14 4.08 18.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.507 ' HB3' HG22 ' A' ' 28' ' ' ILE . 0.5 OUTLIER -103.98 -32.35 9.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.235 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.484 ' HB2' HG21 ' A' ' 28' ' ' ILE . 2.7 t80 -88.28 -34.69 17.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.13 -5.81 50.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.789 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 10.2 t80 -101.31 -36.16 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 102' ' ' GLN . 14.6 p -71.87 -54.47 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.553 ' N ' HG13 ' A' ' 101' ' ' VAL . 0.5 OUTLIER -41.65 -44.24 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.277 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 49.4 t90 -66.26 -52.08 51.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 108.027 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.789 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -50.27 -57.84 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -42.92 -53.62 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -44.99 -65.19 0.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.782 ' CZ ' HG22 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -41.02 -34.23 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.955 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.649 ' CE2' HD12 ' A' ' 44' ' ' LEU . 9.5 m-85 -87.91 37.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 106' ' ' LYS . 53.6 t0 -168.26 119.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -45.76 -50.23 14.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.87 150.9 18.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -42.27 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.504 1.792 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.3 t -76.31 130.61 38.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.045 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.7 p -113.64 140.35 48.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.92 116.77 29.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 0.729 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 m -102.01 -59.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.07 -111.97 0.44 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.037 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.24 144.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.04 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -63.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.018 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.09 -172.45 13.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -178.58 88.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -61.4 177.48 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER 70.32 -68.09 0.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.25 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -63.53 -13.48 41.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.602 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -57.36 -53.67 55.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' TRP . 79.4 mmm -66.16 -54.22 28.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.511 ' N ' HD23 ' A' ' 14' ' ' LEU . 4.9 mt -41.92 -44.94 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.53 -48.73 76.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.514 ' CG ' ' HD2' ' A' ' 105' ' ' LYS . 33.9 t90 -46.48 -65.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 108.022 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.59 HG22 HD23 ' A' ' 23' ' ' LEU . 2.1 mp -57.47 -59.39 3.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 17' ' ' ILE . 55.2 m-20 -39.58 -49.03 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.15 60.61 2.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.5 m -162.06 -43.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.89 HD22 ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -126.27 5.56 7.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 65.3 70.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 21' ' ' LEU . 1.1 mm? -105.46 -156.33 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -177.16 64.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 30' ' ' GLN . 14.4 mt -98.71 150.2 22.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.457 ' O ' ' NH2' ' A' ' 10' ' ' ARG . 20.5 p -109.05 -14.62 14.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HA ' ' NH1' ' A' ' 10' ' ' ARG . 6.1 mtmm -140.11 172.78 12.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.644 ' O ' HD12 ' A' ' 31' ' ' LEU . 2.8 mm -79.77 -44.04 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.491 ' HG3' ' CA ' ' A' ' 94' ' ' PHE . 2.8 mt-10 -49.25 -22.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.521 ' HB3' HD22 ' A' ' 25' ' ' LEU . 4.0 mm-40 -53.85 -19.33 4.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.644 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -91.88 33.79 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.52 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 23.0 p -92.27 27.54 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.431 ' O ' ' CE2' ' A' ' 68' ' ' PHE . 6.8 p -115.17 -60.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.48 46.88 1.61 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -117.33 -53.59 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.25 -61.73 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -43.91 -53.23 6.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.75 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -50.77 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.89 ' HB3' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -42.32 -41.33 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.456 ' HA ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -63.22 -39.97 96.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.549 ' HB3' HD11 ' A' ' 49' ' ' ILE . 31.1 mmm -64.93 -63.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -40.36 -42.3 1.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 ttp -62.76 -44.12 97.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.559 ' CD1' ' CE2' ' A' ' 108' ' ' PHE . 89.1 mt -75.74 -59.08 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.504 ' CD1' ' SD ' ' A' ' 78' ' ' MET . 96.6 m-85 -112.25 107.97 55.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 124.15 8.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.43 34.93 30.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -110.27 -34.09 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.75 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.5 OUTLIER -109.26 -168.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.666 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -124.75 55.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.652 HD21 ' HZ ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -44.03 -27.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -89.98 39.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.562 ' HB3' HD13 ' A' ' 70' ' ' ILE . 9.0 ttpt -157.13 -45.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.525 HG11 HD23 ' A' ' 51' ' ' LEU . 7.5 p -47.75 150.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 7.8 mmtt -106.69 99.46 9.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.652 ' HZ ' HD21 ' A' ' 51' ' ' LEU . 4.8 m-30 -80.47 -31.12 37.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -104.17 48.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -85.84 133.97 33.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -117.16 -4.61 11.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.743 HD12 ' NE2' ' A' ' 62' ' ' HIS . 7.2 mt -116.59 160.92 19.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.475 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 2.6 mt-10 -73.13 -54.51 8.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.743 ' NE2' HD12 ' A' ' 60' ' ' LEU . 11.8 p80 -39.47 -36.41 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.57 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.502 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 3.0 mm-40 -65.04 -61.76 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.52 ' CD2' ' O ' ' A' ' 32' ' ' CYS . 13.0 m-30 -35.69 -55.64 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.701 HG13 HG11 ' A' ' 90' ' ' VAL . 1.3 mp -39.61 -65.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -42.91 -54.5 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -41.2 -54.19 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.573 ' HB3' HG22 ' A' ' 86' ' ' VAL . 73.4 m-85 -64.58 -44.06 91.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -44.4 -41.41 6.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.602 HG22 HG22 ' A' ' 49' ' ' ILE . 64.0 mt -71.28 -54.92 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.567 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.6 tm? -48.83 -50.57 33.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.479 ' HG2' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -48.0 -37.4 14.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 70' ' ' ILE . . . -68.18 -32.0 71.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.464 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -54.19 -30.4 47.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -81.95 -43.71 17.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -5.93 43.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -88.02 -44.07 11.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.504 ' SD ' ' CD1' ' A' ' 45' ' ' PHE . 10.6 mmt -88.98 -69.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.35 66.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.981 HG13 ' CZ ' ' A' ' 107' ' ' PHE . 92.0 t -132.4 109.76 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -85.54 69.75 10.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 45.7 tptt -122.08 134.27 54.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.7 mm -100.24 106.13 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.968 HG22 HG23 ' A' ' 86' ' ' VAL . 29.0 mt -77.1 142.72 68.95 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.742 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.4 Cg_endo -74.97 -60.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.968 HG23 HG22 ' A' ' 84' ' ' ILE . 61.9 t 66.66 -79.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.518 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 5.8 t0 -40.97 -29.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' A' ' 86' ' ' VAL . 8.1 mtpp -85.18 -46.19 11.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' VAL . 14.1 mt -65.28 -56.35 13.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.701 HG11 HG13 ' A' ' 65' ' ' ILE . 8.3 m -51.27 -34.04 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 16.2 mmmt -73.71 -26.21 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' LEU . . . 96.35 44.01 3.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 97' ' ' ASN . 7.2 mmtm -82.93 69.88 9.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.627 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -35.03 -47.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.02 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.497 ' N ' ' CG ' ' A' ' 94' ' ' PHE . 42.8 tt0 -57.11 -57.91 10.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.252 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -3.96 27.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.5 OUTLIER -91.84 -43.44 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.44 ' HA ' HG12 ' A' ' 101' ' ' VAL . 3.2 t80 -73.63 -33.51 64.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -81.17 -8.72 59.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.775 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 3.6 t80 -98.3 -32.63 11.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 98' ' ' PHE . 7.6 p -79.14 -35.46 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 2.2 pt20 -60.32 -29.36 68.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CH2' ' HG2' ' A' ' 82' ' ' LYS . 35.6 t90 -82.0 -48.98 10.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.775 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -49.71 -60.3 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 32.1 tttp -40.82 -58.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.73 -59.71 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.981 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 1.6 t80 -45.05 -32.7 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.559 ' CE2' ' CD1' ' A' ' 44' ' ' LEU . 3.6 m-85 -89.87 -88.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 108' ' ' PHE . 0.5 OUTLIER 60.9 121.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 p -82.62 126.8 32.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.33 139.96 4.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 54.13 3.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.053 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.4 t -134.65 128.9 33.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 t -156.51 132.44 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.136 . . . . 0.0 110.944 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -93.98 -58.09 2.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.9 p -85.88 86.86 7.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.013 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.93 132.38 2.96 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.437 1.085 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.2 156.57 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.37 -62.08 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.67 -115.76 0.59 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 59.74 115.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 0.8 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -61.62 178.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' NH2' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 68.82 -66.53 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -65.3 -11.26 39.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.626 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.04 -41.69 92.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TRP . 47.1 mmm -83.48 -51.82 7.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 28' ' ' ILE . 6.8 mt -41.53 -43.86 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.42 -47.78 78.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.627 ' CZ2' ' CE2' ' A' ' 40' ' ' PHE . 30.7 t90 -45.28 -72.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 107.967 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.605 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.2 mp -50.22 -56.87 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -42.37 -47.05 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.44 56.53 1.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.428 ' OG ' ' CZ ' ' A' ' 40' ' ' PHE . 57.8 m -153.8 -44.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -127.71 4.33 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER 70.12 69.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.724 ' N ' HD22 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -103.85 -156.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -177.42 58.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 30' ' ' GLN . 24.2 mt -87.88 148.35 24.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.3 p -107.17 -16.2 14.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HG2' ' NH2' ' A' ' 10' ' ' ARG . 4.0 mtmt -138.08 173.72 11.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.788 ' O ' HD12 ' A' ' 31' ' ' LEU . 5.3 mm -81.44 -41.82 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.64 -20.37 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.715 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.4 mm-40 -52.73 -19.96 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -91.34 34.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.3 p -92.8 22.26 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 108.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 p -107.25 -55.76 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.93 45.46 2.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.48 ' HB1' ' CD1' ' A' ' 56' ' ' PHE . . . -122.13 -51.1 2.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.96 -54.2 2.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -51.13 -51.21 55.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.718 ' SG ' HG21 ' A' ' 49' ' ' ILE . 1.3 m -51.1 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.297 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.633 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -43.24 -43.34 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.627 ' CE2' ' CZ2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -62.3 -36.21 81.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.58 ' HB3' HD11 ' A' ' 49' ' ' ILE . 20.1 mmm -70.29 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.89 -35.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 ttp -69.03 -45.09 71.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 41' ' ' MET . 80.0 mt -75.66 -53.07 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.52 ' CD1' ' HE2' ' A' ' 78' ' ' MET . 40.8 m-85 -126.72 107.94 22.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.1 16.18 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.87 -22.75 29.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.8 p -56.68 -35.78 68.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.718 HG21 ' SG ' ' A' ' 38' ' ' CYS . 0.3 OUTLIER -112.56 -161.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.509 ' H ' HG22 ' A' ' 49' ' ' ILE . . . -137.98 60.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.619 HD21 ' HZ ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -40.12 -29.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -88.92 43.57 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 70' ' ' ILE . 6.0 ttmt -159.07 -45.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.466 ' CG1' ' CE1' ' A' ' 56' ' ' PHE . 7.6 p -50.45 153.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.0 OUTLIER -113.13 94.7 5.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.619 ' HZ ' HD21 ' A' ' 51' ' ' LEU . 6.1 m-30 -73.39 -38.44 65.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -89.51 39.29 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 63' ' ' GLU . . . -83.61 127.96 34.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' C ' HD13 ' A' ' 60' ' ' LEU . 2.4 ttpt -115.19 -33.36 5.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.824 HD13 ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -80.16 158.55 26.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . 1.6 mt-10 -69.44 -56.23 8.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 11.2 p80 -38.42 -37.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' HB2' ' HB1' ' A' ' 58' ' ' ALA . 2.1 mm-40 -63.01 -61.19 2.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.627 ' HB3' HG12 ' A' ' 90' ' ' VAL . 12.9 m-30 -35.94 -49.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.62 HG13 HG11 ' A' ' 90' ' ' VAL . 1.3 mp -48.92 -65.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' ASN . 9.0 mt-30 -45.7 -54.65 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 55' ' ' LYS . 1.4 m-20 -39.79 -52.01 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.549 ' HB3' HG22 ' A' ' 86' ' ' VAL . 34.7 m-85 -66.95 -48.11 69.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -40.81 -41.28 1.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 53' ' ' LYS . 88.1 mt -71.24 -57.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' CD1' ' CD1' ' A' ' 84' ' ' ILE . 1.5 tm? -44.58 -50.68 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -46.01 -43.24 14.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.723 ' HB1' ' NH1' ' A' ' 77' ' ' ARG . . . -56.6 -34.63 67.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.443 ' HA3' ' CD1' ' A' ' 49' ' ' ILE . . . -52.57 -33.29 40.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -78.16 -50.4 12.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 2.2 ptpt -76.58 56.59 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.723 ' NH1' ' HB1' ' A' ' 73' ' ' ALA . 26.0 mtt85 -162.3 -43.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.52 ' HE2' ' CD1' ' A' ' 45' ' ' PHE . 70.2 mmm -90.04 -55.36 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 152.3 65.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.478 HG22 ' CE1' ' A' ' 107' ' ' PHE . 46.5 t -141.12 117.52 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.33 65.84 0.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.579 ' HB2' ' CH2' ' A' ' 103' ' ' TRP . 45.5 tptt -113.92 138.22 50.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mt -100.5 97.7 6.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.961 HG22 HG23 ' A' ' 86' ' ' VAL . 54.3 mt -68.48 137.33 90.97 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.235 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' A' ' 84' ' ' ILE . 18.5 Cg_endo -74.97 -55.03 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.052 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.961 HG23 HG22 ' A' ' 84' ' ' ILE . 60.1 t 63.6 -78.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' PRO . 66.1 t0 -39.06 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 86' ' ' VAL . 13.0 mtpp -85.31 -50.44 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 86' ' ' VAL . 19.9 mt -58.48 -48.11 81.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.627 HG12 ' HB3' ' A' ' 64' ' ' TYR . 17.5 m -61.92 -25.38 37.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 87' ' ' ASP . 2.3 mtpm? -83.94 -14.19 51.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.71 62.25 2.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -101.11 78.12 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 93' ' ' LYS . 29.1 t80 -33.62 -40.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -60.43 -56.5 20.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -81.27 1.82 30.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -97.42 -29.97 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' HA ' HG12 ' A' ' 101' ' ' VAL . 4.2 t80 -94.1 -30.83 14.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -83.55 -7.12 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.795 ' CZ ' ' CE1' ' A' ' 104' ' ' PHE . 2.3 t80 -102.56 -25.32 13.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.49 HG11 HD12 ' A' ' 28' ' ' ILE . 12.8 p -84.61 -39.64 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 103' ' ' TRP . 1.7 pt20 -59.54 -25.69 64.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 82' ' ' LYS . 23.9 t90 -84.7 -46.31 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.795 ' CE1' ' CZ ' ' A' ' 100' ' ' PHE . 0.3 OUTLIER -53.7 -48.44 69.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.527 ' HD2' ' CG ' ' A' ' 16' ' ' TRP . 12.4 tttm -58.88 -59.24 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -61.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.478 ' CE1' HG22 ' A' ' 80' ' ' VAL . 4.4 t80 -49.75 -57.32 7.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -44.76 -49.36 10.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -54.7 -54.2 44.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 42.5 t -47.16 163.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.0 147.59 6.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -53.36 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.2 t -157.78 127.09 5.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.8 t -78.94 -61.28 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.065 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.047 179.971 . . . . . . . . 0 0 . 1 stop_ save_