data_1rhw_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 1rhw _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 ' 8' ' ' ILE . . . . . 0.47 HG13 ' CB ' ' A' ' 76' ' ' PHE . 1.2 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HD2' ' CZ ' ' A' ' 75' ' ' TYR . 3.3 mttm -89.85 -84.06 0.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -111.75 141.88 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.208 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -144.68 -48.62 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 43.72 73.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttm -168.47 -177.17 3.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 16' ' ' GLU . 22.7 t -89.69 139.97 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.7 OUTLIER -48.76 -21.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 14' ' ' SER . 34.1 mm-40 -59.93 -64.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.516 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 7.4 mmt -79.67 -30.71 41.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 1.3 tm0? -66.77 -47.47 72.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.545 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -71.21 -46.55 60.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -61.28 -45.47 94.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -63.18 -61.48 2.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -53.22 -26.04 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -64.0 -63.24 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 22.9 m -59.33 -26.67 65.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 108.342 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.68 -72.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' A' ' 27' ' ' GLN . 11.0 t -50.11 -51.49 42.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.427 ' N ' ' CG2' ' A' ' 26' ' ' THR . 3.9 mm-40 -54.83 -47.38 74.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 24' ' ' CYS . . . -51.61 -53.32 39.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.487 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 3.4 tt -65.64 -26.99 68.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.83 3.57 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.25 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -126.17 -41.76 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CB ' HG12 ' A' ' 38' ' ' ILE . 5.6 m-85 -102.28 162.59 12.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -116.44 -28.13 6.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' ASP . 4.5 mp -79.87 86.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' ILE . 1.1 mt-10 -37.04 -52.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -45.41 15.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 34' ' ' ILE . 5.9 t70 -74.56 -27.56 60.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 19.6 mt -64.85 -56.45 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.32 90.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.245 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.16 -30.27 70.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.476 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 2.9 t80 -75.94 -34.66 59.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.438 ' CD1' HD12 ' A' ' 83' ' ' ILE . 10.4 mt -67.8 -55.5 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -49.8 76.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -59.84 -42.32 93.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 6.3 tp10 -55.76 -48.46 75.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' LYS . 1.1 m-85 -75.26 -68.65 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.05 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -35.89 -33.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -34.99 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -133.12 66.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.433 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 1.2 t80 -141.79 -67.69 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.422 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 5.7 t30 -176.05 72.59 0.26 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.446 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.0 Cg_endo -75.01 158.79 41.96 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.519 1.8 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.446 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 5.0 t -99.78 151.47 21.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 0.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.532 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 41.3 m95 -102.11 149.55 24.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 13.2 m170 -125.82 117.02 22.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.6 p -117.55 152.43 35.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 108.287 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.8 mm -135.28 147.81 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.42 120.02 27.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.535 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.5 p90 -141.07 162.52 35.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.584 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -160.79 119.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.223 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.464 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 1.5 t80 -113.11 115.66 28.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.584 ' CD1' HG12 ' A' ' 74' ' ' ILE . 1.7 p90 -146.16 178.2 8.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 111.007 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 5.4 t80 -103.82 117.14 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 26' ' ' THR . 5.1 tp -97.88 117.84 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.407 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 63.48 -83.87 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.569 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -148.14 28.54 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.33 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.594 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 20.0 m -140.48 169.65 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.35 150.84 21.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.438 HD12 ' CD1' ' A' ' 42' ' ' ILE . 4.6 tt -151.15 117.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -119.9 103.4 9.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.9 tt -100.54 143.54 30.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.358 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 41.1 p90 -160.57 142.88 12.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.532 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 8.5 tptp -99.49 111.72 24.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.528 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 37.2 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.422 HD13 ' CG2' ' A' ' 22' ' ' VAL . 1.2 mp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.415 ' CE ' ' OH ' ' A' ' 75' ' ' TYR . 2.5 mtmm -111.0 -75.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -128.03 143.93 51.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.18 -58.72 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 t0 55.69 81.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 73' ' ' PHE . 3.1 ttm -170.29 -169.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 16' ' ' GLU . 5.3 t -94.58 127.64 40.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -40.71 -27.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.243 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -53.68 -67.12 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.302 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.406 ' SD ' ' SD ' ' A' ' 13' ' ' MET . 12.8 ptp -78.17 -40.13 38.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 1.4 tm0? -55.47 -47.46 76.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.536 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 1.1 tm0? -71.56 -48.02 51.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.389 1.056 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 44.0 t0 -51.37 -47.53 62.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 22' ' ' VAL . . . -67.87 -71.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.236 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -37.21 -34.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.434 ' N ' ' C ' ' A' ' 21' ' ' ALA . 24.2 t0 -65.3 -59.46 4.02 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . 97.3 m -54.95 -31.35 60.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.466 ' HB3' ' CD2' ' A' ' 78' ' ' LEU . . . -65.75 -68.96 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 27' ' ' GLN . 8.1 t -48.7 -40.44 28.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.412 ' N ' HG22 ' A' ' 26' ' ' THR . 4.9 mm-40 -64.45 -38.89 92.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.52 ' C ' ' CD1' ' A' ' 38' ' ' ILE . . . -59.04 -51.96 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.467 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -65.58 -12.61 54.6 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -102.72 -1.65 29.6 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -120.4 -48.93 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.46 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 19.5 m-85 -96.96 166.57 11.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.593 1.183 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -125.74 10.28 7.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' ILE . 5.1 mp -119.57 108.91 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 3.6 mt-10 -50.25 -53.38 28.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -46.2 57.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -70.96 -29.55 65.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.52 ' CD1' ' C ' ' A' ' 28' ' ' ALA . 1.6 mm -64.69 -56.56 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.18 76.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.4 73.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 30.0 t80 -75.37 -38.24 60.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.47 ' CD1' HD13 ' A' ' 83' ' ' ILE . 71.4 mt -66.57 -52.0 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 3.4 tmtt? -58.82 -49.11 78.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -60.99 -39.63 90.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.217 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -53.27 -55.74 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.45 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 2.4 m-30 -74.26 -20.65 60.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 9.9 t0 -77.2 -18.63 57.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -52.41 -93.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.7 70.77 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 46' ' ' PHE . 1.1 t80 -137.79 -66.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.477 HD22 ' NH2' ' A' ' 71' ' ' ARG . 16.4 t-20 -175.54 66.46 0.25 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.477 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.5 Cg_endo -75.01 160.72 39.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.477 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 1.4 t -96.84 152.43 18.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.364 1.04 . . . . 0.0 110.348 0.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.585 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 46.4 m95 -103.51 166.0 10.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 108.029 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 86.4 m-70 -141.34 118.38 11.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.625 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.8 t -108.72 146.13 33.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 108.374 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.455 ' HB ' ' CD1' ' A' ' 84' ' ' LEU . 12.9 mm -132.4 157.82 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.059 . . . . 0.0 109.365 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.477 ' NH2' HD22 ' A' ' 51' ' ' ASN . 12.5 mtp85 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 1.3 m-70 -127.0 136.43 52.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.592 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -145.49 167.02 24.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.601 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -160.59 121.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.479 ' CD2' ' O ' ' A' ' 75' ' ' TYR . 4.6 t80 -114.88 110.17 19.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.601 ' CD1' HG12 ' A' ' 74' ' ' ILE . 1.6 p90 -139.86 -179.63 6.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 12.9 t80 -101.86 122.22 43.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 25' ' ' ALA . 3.2 tp -105.67 109.54 21.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.81 -97.34 0.41 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 111.07 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.408 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 1.2 pp0? -128.69 13.46 6.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.458 0.74 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 0.5 OUTLIER -129.54 -179.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -106.45 162.29 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.565 ' CG2' ' CZ ' ' A' ' 76' ' ' PHE . 1.1 tt -154.68 121.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD1' ' HB ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -123.58 101.52 7.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.533 1.145 . . . . 0.0 109.224 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.61 145.6 25.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 55' ' ' HIS . 25.8 p90 -160.02 149.13 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.585 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 16.0 tptm -110.38 119.43 39.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.387 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.444 HG13 ' CB ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.54 -70.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.06 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -127.54 154.01 45.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.95 -48.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 42.05 62.97 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.485 ' CG ' ' HB2' ' A' ' 18' ' ' GLN . 3.3 ptm -163.0 -173.89 3.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -89.85 146.92 24.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.595 1.184 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.3 tt0 -51.72 -20.37 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -61.83 -56.34 20.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -80.2 -35.48 36.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 111.073 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.485 ' HB2' ' CG ' ' A' ' 13' ' ' MET . 16.5 tt0 -64.99 -46.53 81.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -71.35 -53.7 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 56.7 t0 -54.57 -49.69 69.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -57.52 -69.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -43.03 -26.69 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 21' ' ' ALA . 1.4 t0 -65.75 -57.97 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 21' ' ' ALA . 24.2 p -63.11 -33.12 74.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 108.277 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.449 ' CB ' HD11 ' A' ' 78' ' ' LEU . . . -63.72 -72.14 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.394 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.443 ' N ' HD11 ' A' ' 78' ' ' LEU . 66.5 p -49.13 -50.52 37.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.625 1.203 . . . . 0.0 110.39 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -54.41 -47.91 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.389 1.056 . . . . 0.0 110.313 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.18 -53.03 38.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 78' ' ' LEU . 8.1 tt -66.37 -25.83 66.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.71 11.79 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.213 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.94 -44.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 36.4 m-85 -94.41 166.35 12.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.96 7.94 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 37' ' ' ASP . 63.4 mt -121.36 95.49 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' ILE . 1.2 mp0 -36.82 -45.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.231 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -51.0 -50.55 58.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -70.81 -26.87 63.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 41' ' ' TYR . 4.7 mt -64.41 -65.19 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.76 71.59 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 44' ' ' LYS . . . -65.86 -33.2 75.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 46.9 t80 -76.22 -34.72 59.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.977 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.0 mt -66.81 -60.7 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -57.17 -51.26 70.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -57.74 -40.76 80.42 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 7.9 tp10 -58.06 -48.0 81.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.5 m-85 -75.33 -70.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.642 1.214 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.502 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.29 -41.12 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -32.92 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.537 1.148 . . . . 0.0 109.379 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 70.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.434 ' OH ' ' CG ' ' A' ' 17' ' ' MET . 1.0 OUTLIER -147.15 -69.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.9 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -176.41 74.17 0.26 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.462 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.04 160.07 40.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.492 ' O ' ' CD ' ' A' ' 87' ' ' LYS . 3.7 t -100.22 152.82 19.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.46 -0.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.438 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 41.7 m95 -104.27 159.26 15.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 107.949 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 83.9 m-70 -140.72 117.46 10.98 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.576 1.173 . . . . 0.0 109.565 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 28.0 p -122.65 157.29 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.5 mm -134.31 155.48 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.359 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.455 ' O ' ' CG1' ' A' ' 58' ' ' VAL . 7.9 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -132.19 117.65 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.584 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -138.94 158.63 43.85 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 111.079 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.579 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -160.81 118.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.464 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 1.2 t80 -112.32 115.32 28.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.557 1.16 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.579 ' CD1' HG12 ' A' ' 74' ' ' ILE . 1.7 p90 -144.39 -179.49 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.565 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 2.7 t80 -107.14 118.36 36.5 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.456 1.097 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 5.8 tp -95.34 105.61 17.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.163 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.11 -80.36 0.14 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.565 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -149.02 24.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 0.789 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.0 t -135.42 149.49 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.24 142.48 30.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 2.0 tt -147.11 117.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -123.04 109.63 14.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 56' ' ' CYS . 1.3 tp -103.58 145.47 29.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 55' ' ' HIS . 48.6 p90 -160.87 143.0 12.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 53' ' ' THR . 12.2 tptp -108.1 102.02 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.408 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.408 HG13 ' CB ' ' A' ' 76' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.564 ' NZ ' ' CZ ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -94.32 -100.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.63 120.76 42.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.452 ' CB ' HG13 ' A' ' 74' ' ' ILE . . . -154.16 67.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.17 99.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.44 ' HE3' ' CD2' ' A' ' 72' ' ' HIS . 1.3 tpt -165.85 175.61 8.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 16' ' ' GLU . 14.1 t -89.85 145.88 24.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.1 tt0 -47.81 -22.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.361 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -59.19 -63.0 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.534 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 13.7 ttt -79.66 -32.6 41.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -65.02 -45.87 83.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -71.89 -52.82 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 33.5 t0 -55.6 -50.36 70.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -57.63 -70.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 19' ' ' GLN . 1.1 p -42.51 -26.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -65.46 -57.94 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 21' ' ' ALA . 30.6 p -63.48 -38.1 89.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.98 -72.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.7 m -48.0 -49.99 29.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -53.8 -43.97 69.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.473 ' CB ' ' CG2' ' A' ' 38' ' ' ILE . . . -55.84 -54.22 47.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.479 ' CD2' ' HA3' ' A' ' 79' ' ' GLY . 0.2 OUTLIER -66.11 -14.22 61.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.74 4.03 47.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -130.23 -53.51 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -95.79 159.77 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.98 -27.77 7.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.601 1.188 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' ASP . 4.7 mt -81.25 84.38 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.508 ' HA ' ' CG1' ' A' ' 38' ' ' ILE . 11.7 tm-20 -35.21 -43.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.588 1.18 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -46.4 -51.76 14.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 4.5 t70 -71.45 -25.02 62.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.508 ' CG1' ' HA ' ' A' ' 35' ' ' GLU . 9.5 mt -67.74 -68.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.453 ' CB ' ' OE1' ' A' ' 35' ' ' GLU . . . -54.52 -38.91 67.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.86 -31.94 72.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.483 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 1.2 t80 -76.54 -33.9 58.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.463 ' CD1' HD11 ' A' ' 83' ' ' ILE . 10.4 mt -66.32 -52.46 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' CG ' ' HB2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -60.92 -48.16 83.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -59.65 -42.27 92.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.94 -46.49 84.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -74.02 -69.28 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.8 -37.64 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -31.87 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -129.62 69.05 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -142.93 -69.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -176.4 73.46 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.422 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -75.01 159.79 40.89 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.555 1.819 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.422 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 6.3 t -99.97 154.08 18.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.433 0.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 40.1 m95 -105.46 166.79 10.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 67.0 m-70 -141.34 113.98 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.67 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 10.7 t -110.16 145.91 36.42 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.635 1.209 . . . . 0.0 108.379 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.1 mt -134.73 157.14 40.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.503 ' CG1' ' OE2' ' A' ' 35' ' ' GLU . 2.6 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.44 ' CD2' ' HE3' ' A' ' 13' ' ' MET . 40.8 m170 -119.77 110.79 17.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.6 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.635 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -134.35 162.72 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.388 1.055 . . . . 0.0 111.083 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.575 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -160.11 122.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.564 ' CZ ' ' NZ ' ' A' ' 9' ' ' LYS . 27.6 t80 -112.72 121.06 43.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.575 ' CD1' HG12 ' A' ' 74' ' ' ILE . 1.4 p90 -150.82 -179.61 7.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.412 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 3.4 t80 -115.75 112.94 22.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 29' ' ' LEU . 20.2 mt -87.52 118.39 26.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.479 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 59.11 -83.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.436 1.085 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -147.74 35.81 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.6 t -144.66 157.12 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.395 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.35 150.08 22.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.234 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.509 HG22 ' CE2' ' A' ' 76' ' ' PHE . 6.0 tt -151.62 121.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.47 111.13 15.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -109.23 143.16 39.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 45.4 p90 -159.43 145.13 16.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.568 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -101.34 116.98 34.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.975 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.442 ' CG1' HG22 ' A' ' 22' ' ' VAL . 1.6 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.13 -78.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -108.32 143.77 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.35 -46.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.0 t70 46.38 66.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.07 -174.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.0 t -89.75 139.89 30.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 110.043 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 1.3 tt0 -50.06 -20.86 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.357 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -61.33 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.35 -33.96 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.4 -46.53 82.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -71.39 -46.85 59.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.369 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 13.1 t70 -58.35 -45.89 87.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.212 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -65.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.508 HG23 ' CD2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -48.21 -25.32 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -66.45 -64.79 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.401 ' SG ' ' OE2' ' A' ' 45' ' ' GLU . 97.7 m -54.65 -36.17 64.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.326 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' O ' HD22 ' A' ' 78' ' ' LEU . . . -61.1 -68.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.428 ' N ' HD11 ' A' ' 78' ' ' LEU . 24.0 m -47.42 -51.61 19.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.609 1.193 . . . . 0.0 110.352 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -54.31 -38.48 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.79 -56.25 24.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.065 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.479 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -66.43 -13.9 61.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.45 1.05 51.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -128.7 -46.74 1.28 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.469 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 29.7 m-85 -99.68 158.39 15.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -117.97 -6.26 10.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 mp -102.8 111.0 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' ILE . 2.0 tm-20 -50.5 -53.23 31.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.173 . . . . 0.0 110.261 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 55.2 mttt -43.62 -50.74 7.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.338 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.6 -31.63 70.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 1.6 mm -64.71 -69.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.1 -31.96 53.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 36' ' ' LYS . . . -67.33 -34.48 77.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.463 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 69.4 t80 -72.46 -39.53 67.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.441 ' CD1' HD11 ' A' ' 83' ' ' ILE . 38.5 mt -67.23 -59.05 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -50.7 -51.0 53.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -62.8 -34.27 76.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -53.88 -64.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.793 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 2.6 m-85 -73.74 -49.62 24.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 4.3 t70 -39.48 -39.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.35 -69.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -146.63 71.6 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.793 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 9.2 t80 -153.4 34.59 0.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.8 70.18 0.3 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.23 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.524 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -74.95 163.06 36.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.524 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 1.1 t -102.61 159.93 15.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.457 1.098 . . . . 0.0 110.416 -0.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.653 ' CZ2' ' CD2' ' A' ' 50' ' ' TYR . 39.8 m95 -107.64 168.89 8.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.635 1.209 . . . . 0.0 107.967 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 39.9 m-70 -140.57 126.94 19.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.632 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.4 t -114.54 138.97 49.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 1.077 . . . . 0.0 108.318 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.7 mm -124.84 151.46 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.444 ' CG1' ' CD ' ' A' ' 35' ' ' GLU . 5.6 p . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.38 1.05 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.43 154.06 48.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 109.633 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.481 ' HB3' ' CB ' ' A' ' 86' ' ' PHE . 8.7 p90 -169.37 171.69 7.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.476 HG12 ' CD1' ' A' ' 76' ' ' PHE . 1.4 tt -160.43 119.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -113.08 113.13 25.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 1.5 p90 -138.67 178.48 7.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -106.18 121.96 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 26' ' ' THR . 3.6 tp -104.6 102.46 12.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.358 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.58 -100.42 0.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.48 -10.25 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.736 . . . . 0.0 110.311 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.72 147.67 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.73 168.69 14.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.698 ' CG2' ' CZ ' ' A' ' 76' ' ' PHE . 1.6 tt -161.4 128.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.31 118.13 16.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.1 tp -110.06 148.53 31.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 6.2 p90 -159.05 157.38 31.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 6.8 tptt -117.46 102.11 8.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.649 1.218 . . . . 0.0 110.022 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.474 ' CD1' HG23 ' A' ' 22' ' ' VAL . 1.7 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HE3' ' CZ ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.91 -69.62 0.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -136.0 108.63 7.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.442 ' CB ' HG13 ' A' ' 74' ' ' ILE . . . -156.76 57.89 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 13' ' ' MET . 1.4 m-20 -49.89 -88.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.441 ' SD ' ' CD2' ' A' ' 72' ' ' HIS . 0.0 OUTLIER 36.84 -156.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 16' ' ' GLU . 11.9 t -109.01 131.94 54.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.108 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 1.5 tt0 -45.02 -24.03 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -56.4 -65.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.222 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 18' ' ' GLN . 5.2 ppp? -78.5 -36.53 44.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.454 ' N ' ' SD ' ' A' ' 17' ' ' MET . 2.5 tt0 -60.25 -48.01 83.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.356 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -70.68 -54.05 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 14.1 t70 -50.33 -45.36 54.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.068 . . . . 0.0 109.205 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . . . -66.52 -73.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.481 HG21 ' CE2' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -36.82 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.384 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' ALA . 34.8 t70 -64.65 -61.89 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.386 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.7 m -57.36 -29.98 64.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 108.33 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.42 -74.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.466 ' HA ' ' CD1' ' A' ' 78' ' ' LEU . 6.4 t -47.29 -46.26 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 26' ' ' THR . 11.1 mm-40 -59.07 -44.28 91.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.398 1.061 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' HB1' ' CG2' ' A' ' 38' ' ' ILE . . . -54.67 -51.57 65.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.427 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 3.3 tt -65.85 -26.89 67.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.23 3.5 39.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -125.74 -42.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -107.83 161.05 15.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -115.03 -25.06 8.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' ASP . 3.3 mp -84.36 85.53 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.492 ' HA ' ' CG1' ' A' ' 38' ' ' ILE . 3.5 tm-20 -34.69 -45.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.468 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -45.16 -51.47 10.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.597 1.185 . . . . 0.0 109.262 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -71.9 -27.92 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.492 ' CG1' ' HA ' ' A' ' 35' ' ' GLU . 10.0 mt -64.99 -68.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' O ' ' SG ' ' A' ' 56' ' ' CYS . . . -57.35 -32.64 66.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 36' ' ' LYS . . . -66.23 -33.72 76.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.503 ' CE2' ' HG3' ' A' ' 45' ' ' GLU . 39.5 t80 -74.89 -36.58 62.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 39.0 mt -68.04 -55.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -51.03 70.58 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 18.0 ttpp -63.64 -35.02 79.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' HG3' ' CE2' ' A' ' 41' ' ' TYR . 2.9 mm-40 -53.55 -58.67 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.215 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 21' ' ' ALA . 2.9 m-85 -73.51 -43.73 59.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.634 1.209 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 52' ' ' PRO . 8.1 t0 -48.24 -31.2 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 2.9 mmmt -50.3 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -141.3 71.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.505 ' CE2' ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -155.97 44.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 111.016 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 64.08 68.48 0.83 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.56 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.99 164.24 33.77 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.475 1.776 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.56 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 0.6 OUTLIER -102.22 162.65 12.75 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 110.437 0.071 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.519 ' CE2' ' HG3' ' A' ' 87' ' ' LYS . 21.1 m95 -112.97 159.69 18.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 108.035 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 53.0 m-70 -140.4 123.44 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.584 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.431 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 15.2 p -119.59 143.56 47.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.42 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.9 mp -124.68 152.37 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.485 ' CG1' HG22 ' A' ' 81' ' ' VAL . 60.2 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.374 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.441 ' CD2' ' SD ' ' A' ' 13' ' ' MET . 17.9 m170 -130.69 127.87 39.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.642 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.443 ' HB3' ' CB ' ' A' ' 86' ' ' PHE . 5.1 p90 -152.25 166.32 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.569 HG12 ' CE1' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -160.92 117.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.436 ' CZ ' ' HE3' ' A' ' 9' ' ' LYS . 4.3 t80 -112.6 115.22 28.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.569 ' CE1' HG12 ' A' ' 74' ' ' ILE . 1.9 p90 -146.32 179.44 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.522 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 4.3 t80 -106.42 120.59 42.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 26' ' ' THR . 5.0 tp -96.61 111.14 23.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.86 -81.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.568 1.167 . . . . 0.0 111.065 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.522 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -147.97 34.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.243 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.485 HG22 ' CG1' ' A' ' 58' ' ' VAL . 4.4 p -145.07 154.12 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.89 141.2 28.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.423 HG13 ' CG2' ' A' ' 58' ' ' VAL . 2.3 tt -147.53 119.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.34 114.4 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 56' ' ' CYS . 0.4 OUTLIER -109.44 142.5 40.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.443 ' CB ' ' HB3' ' A' ' 73' ' ' PHE . 46.3 p90 -154.64 160.17 41.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.521 ' CE ' ' O ' ' A' ' 53' ' ' THR . 0.0 OUTLIER -114.86 100.86 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.417 ' N ' ' HE2' ' A' ' 87' ' ' LYS . 14.9 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 110.04 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.41 HD12 ' CG2' ' A' ' 22' ' ' VAL . 1.2 mp . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.2 -66.24 0.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -147.61 111.01 4.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' MET . . . -139.78 66.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.1 91.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -167.3 -177.75 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -89.84 146.56 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.1 OUTLIER -50.4 -20.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -60.52 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 110.264 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 1.3 mpp? -80.58 -33.77 35.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 16.1 tt0 -65.12 -45.78 83.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.563 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -72.26 -52.34 16.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 24.8 t0 -55.61 -51.04 68.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -56.07 -66.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.378 1.049 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -48.95 -23.22 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 20' ' ' ASP . 1.2 t0 -65.89 -60.42 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.1 m -63.33 -29.82 71.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 108.348 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.93 -70.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.473 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . 14.8 t -48.38 -46.28 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -59.25 -43.62 92.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.53 ' HB2' ' CE2' ' A' ' 41' ' ' TYR . . . -53.91 -52.26 61.13 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.444 1.09 . . . . 0.0 109.355 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.416 HD21 ' CA ' ' A' ' 79' ' ' GLY . 0.7 OUTLIER -66.21 -24.72 66.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -87.85 9.4 22.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -134.3 -44.62 0.77 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.072 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -95.62 -170.46 2.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -144.29 -45.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 37' ' ' ASP . 2.3 mp -67.56 84.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.227 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.496 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 3.4 mt-10 -32.55 -42.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.377 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -51.3 -53.32 37.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 34' ' ' ILE . 12.0 t0 -69.69 -25.83 64.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.496 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 24.2 mt -64.74 -50.29 76.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.569 1.168 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.426 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -66.0 -39.64 90.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.66 -30.47 70.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.53 ' CE2' ' HB2' ' A' ' 28' ' ' ALA . 24.8 t80 -72.06 -39.44 69.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.4 mt -66.82 -61.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -50.27 -51.89 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.371 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.02 -37.32 82.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -54.94 -51.43 66.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 110.302 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.595 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -75.52 -64.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.108 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -38.01 -33.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.355 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 2.2 tppp? -36.17 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -138.89 65.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.595 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 2.4 t80 -138.83 -68.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -175.54 73.2 0.28 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.474 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.15 160.46 39.63 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.474 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 4.9 t -99.49 156.79 16.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 0.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.462 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 44.9 m95 -108.94 157.98 18.13 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 17.6 m-70 -140.8 110.85 6.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.626 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 57' ' ' ILE . 4.2 t -119.65 155.0 33.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 108.185 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.484 ' N ' ' SG ' ' A' ' 56' ' ' CYS . 26.8 mm -135.34 164.9 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 96.4 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -128.44 119.93 25.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 0.0 109.609 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.51 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 2.1 p90 -139.99 160.39 40.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.622 1.201 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.512 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -161.26 119.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.416 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -115.07 114.95 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.538 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 1.5 p90 -140.45 -179.68 6.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.097 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 3.7 t80 -111.31 112.53 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.099 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.477 ' HG ' ' CE2' ' A' ' 76' ' ' PHE . 18.1 mt -90.27 117.65 29.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.416 ' CA ' HD21 ' A' ' 29' ' ' LEU . . . 64.33 -84.86 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.485 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 11.1 pt20 -147.42 28.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.242 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.432 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 7.2 p -139.83 162.34 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.6 152.48 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 78' ' ' LEU . 8.0 tt -152.51 121.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.308 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.591 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -117.41 122.76 44.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 8.5 tt -122.4 128.91 51.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.361 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 5.6 p90 -145.85 147.96 32.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.462 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -104.08 121.54 43.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.935 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.472 HG13 ' CB ' ' A' ' 76' ' ' PHE . 1.8 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -89.83 -61.12 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -147.02 134.58 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.52 ' CB ' ' NE2' ' A' ' 18' ' ' GLN . . . -153.08 -47.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 13' ' ' MET . 0.4 OUTLIER 64.36 -162.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 109.253 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.583 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 1.4 ttt 76.96 -171.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.43 ' CB ' ' HG2' ' A' ' 16' ' ' GLU . 7.1 t -89.5 142.3 27.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 110.024 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -47.36 -23.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.398 1.061 . . . . 0.0 110.381 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HG2' ' CB ' ' A' ' 14' ' ' SER . 9.2 pt-20 -59.7 -52.64 64.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.414 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -79.48 -41.16 28.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 111.054 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.52 ' NE2' ' CB ' ' A' ' 11' ' ' ALA . 2.5 tp60 -61.12 -43.74 98.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -70.57 -56.58 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.222 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 38.5 t0 -50.66 -44.32 57.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' C ' ' N ' ' A' ' 23' ' ' ASP . . . -65.42 -70.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -41.16 -29.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 8.0 t70 -65.12 -62.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.9 m -56.68 -29.86 62.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 108.249 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.84 -73.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.42 ' N ' HD21 ' A' ' 78' ' ' LEU . 16.3 m -48.73 -50.32 34.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -54.18 -49.16 69.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB3' ' CE1' ' A' ' 41' ' ' TYR . . . -50.95 -52.6 40.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.367 1.042 . . . . 0.0 109.228 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.84 -22.08 66.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.24 9.36 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -132.38 -45.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.653 1.221 . . . . 0.0 109.236 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.422 ' CB ' HG12 ' A' ' 38' ' ' ILE . 43.6 m-85 -96.5 176.85 5.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -130.66 -43.61 1.11 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.43 1.081 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' A' ' 37' ' ' ASP . 2.9 mt -67.62 83.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 7.7 mp0 -33.79 -43.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 110.261 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.39 -51.04 49.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 34' ' ' ILE . 6.7 t70 -71.72 -24.46 61.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 20.6 mt -66.02 -51.95 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.34 92.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.28 -28.76 68.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 28' ' ' ALA . 1.5 t80 -74.32 -37.24 63.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.9 mt -66.89 -52.79 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -60.35 -49.66 76.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HA ' ' OD1' ' A' ' 47' ' ' ASP . 15.7 ttpt -59.09 -41.26 87.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 45' ' ' GLU . 10.2 tm-20 -54.74 -52.64 61.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.19 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -73.44 -65.92 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.75 -32.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.07 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.512 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -36.09 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -132.92 66.57 1.56 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.399 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -138.99 -68.72 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 0.0 111.081 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.431 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 1.6 m120 -176.03 73.17 0.26 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.436 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.7 Cg_endo -74.92 160.3 40.56 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.57 1.826 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.436 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 3.4 t -99.61 158.23 15.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -0.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 87' ' ' LYS . 44.7 m95 -111.52 171.98 7.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.009 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 24.2 m-70 -140.58 112.65 7.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.463 1.102 . . . . 0.0 109.638 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.429 ' SG ' ' CD1' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -102.82 133.91 47.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 1.154 . . . . 0.0 108.255 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 58' ' ' VAL . 36.3 mm -135.33 164.19 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.447 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 2.1 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.583 ' CE1' ' HE2' ' A' ' 13' ' ' MET . 0.4 OUTLIER -123.78 111.99 16.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.527 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 12.3 p90 -124.25 161.37 25.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.415 1.072 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.576 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -159.66 105.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.584 ' CD2' ' HB2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -107.33 104.25 13.81 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.576 ' CD1' HG12 ' A' ' 74' ' ' ILE . 2.0 p90 -133.08 -179.37 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 111.054 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 5.7 t80 -105.56 132.96 51.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.42 HD21 ' N ' ' A' ' 26' ' ' THR . 19.1 mt -115.58 107.68 15.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.13 -92.33 0.3 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -135.34 19.59 3.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 110.315 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.601 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 14.5 m -133.48 170.27 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.58 163.03 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.567 HG21 ' CE2' ' A' ' 76' ' ' PHE . 1.5 tp -154.9 126.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.584 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 27.8 tp -128.12 109.07 11.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.184 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.527 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -111.13 122.14 47.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.355 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 6.6 p90 -142.17 140.45 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -93.01 108.81 20.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.472 ' CD1' HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -90.25 -90.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.602 1.189 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -112.47 108.32 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.576 ' CB ' ' CD1' ' A' ' 74' ' ' ILE . . . -132.12 -55.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.488 ' O ' ' C ' ' A' ' 13' ' ' MET . 1.0 OUTLIER 54.46 -96.01 0.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.561 ' HG2' ' CE1' ' A' ' 72' ' ' HIS . 2.5 tpt 30.52 -146.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.461 ' C ' ' N ' ' A' ' 16' ' ' GLU . 7.2 t -119.54 137.13 54.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 8.8 tt0 -41.24 -25.94 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.479 1.112 . . . . 0.0 110.198 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 14' ' ' SER . 2.3 mt-10 -60.68 -54.99 38.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.509 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.6 mpt? -81.57 -35.15 30.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -46.61 76.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.363 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -70.88 -47.1 61.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 9.3 t0 -61.75 -44.76 96.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -64.95 -64.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.472 HG21 ' CD1' ' A' ' 8' ' ' ILE . 3.1 p -51.24 -24.62 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -65.98 -65.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 m -58.57 -30.12 66.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 108.308 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.15 -73.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.436 ' N ' HD23 ' A' ' 78' ' ' LEU . 1.1 m -47.65 -42.19 23.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 110.493 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.7 -41.72 99.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.491 ' C ' ' CD1' ' A' ' 38' ' ' ILE . . . -54.5 -50.9 66.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.403 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 5.4 tt -65.45 -18.21 65.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.53 8.26 44.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -130.12 -46.39 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.467 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 26.2 m-85 -106.05 160.4 15.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -114.78 -12.07 12.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.96 105.61 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HA ' ' HB ' ' A' ' 38' ' ' ILE . 3.3 mm-40 -51.01 -47.11 61.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -50.72 -45.5 58.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 5.1 t0 -74.98 -24.32 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.491 ' CD1' ' C ' ' A' ' 28' ' ' ALA . 1.6 mm -68.11 -63.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.44 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -60.89 -38.03 84.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 36' ' ' LYS . . . -66.76 -31.1 71.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 11.5 t80 -75.83 -36.75 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.445 ' CD1' HD11 ' A' ' 83' ' ' ILE . 6.9 mt -65.3 -51.26 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -60.65 -47.77 84.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -59.35 -42.07 90.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' C ' ' CD ' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -56.43 -48.12 77.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.472 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.8 m-85 -74.26 -70.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.071 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.477 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -34.63 -38.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -33.08 -79.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -134.56 66.7 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -139.78 -69.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.404 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 18.2 t-20 -176.86 73.67 0.24 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.152 . . . . 0.0 109.236 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.48 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -74.97 160.44 40.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.468 1.773 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.48 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 9.7 t -99.56 155.45 17.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 -0.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.506 ' CZ3' ' HB3' ' A' ' 72' ' ' HIS . 45.8 m95 -107.92 168.81 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 107.998 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 38.6 m-70 -140.5 116.73 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.68 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.457 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.0 t -113.42 137.35 51.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.457 ' CD1' ' C ' ' A' ' 56' ' ' CYS . 2.1 mp -130.3 150.73 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 13' ' ' MET . 3.8 t-80 -114.85 112.71 23.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.63 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -140.69 150.56 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.961 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.576 ' CD1' ' CB ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -161.85 115.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.572 ' CE1' ' HE3' ' A' ' 9' ' ' LYS . 1.2 t80 -111.28 120.72 43.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 1.4 p90 -142.53 -179.61 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 4.5 t80 -110.9 117.06 32.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 80' ' ' GLN . 15.1 mt -92.8 116.48 29.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.386 1.053 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.41 -81.37 0.01 OUTLIER Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.432 1.082 . . . . 0.0 111.003 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 4.6 mt-30 -149.43 36.89 0.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.531 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 7.1 p -145.15 160.04 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.62 1.2 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.67 144.85 25.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.445 HD11 ' CD1' ' A' ' 42' ' ' ILE . 5.6 tt -149.53 117.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.22 118.26 30.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.39 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 1.1 tp -114.81 134.26 55.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.172 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 45.4 p90 -153.82 148.61 26.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 53' ' ' THR . 3.4 tptt -112.97 112.1 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.986 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.429 HD13 ' CG2' ' A' ' 22' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -77.12 0.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.442 1.089 . . . . 0.0 109.214 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -138.24 124.81 20.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.247 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.468 ' CB ' HG13 ' A' ' 74' ' ' ILE . . . -162.84 89.15 0.64 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -63.64 95.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.522 ' HE3' ' CG ' ' A' ' 72' ' ' HIS . 2.0 ttt -165.69 179.35 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 111.035 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.428 ' C ' ' N ' ' A' ' 16' ' ' GLU . 45.1 t -93.29 140.58 29.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.0 tt0 -45.42 -23.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.7 tm-20 -59.11 -59.85 4.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.412 ' SD ' ' OH ' ' A' ' 50' ' ' TYR . 5.2 mmt -80.19 -36.57 34.75 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -62.46 -47.9 82.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.237 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -71.27 -48.27 51.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 12.5 t70 -55.76 -44.68 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' HB1' ' CZ ' ' A' ' 46' ' ' PHE . . . -67.69 -73.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.203 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.572 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -41.0 -30.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.384 1.053 . . . . 0.0 109.23 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 7.2 t70 -66.71 -57.99 6.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.613 1.196 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.2 m -53.9 -48.62 69.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 108.206 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 78' ' ' LEU . . . -58.41 -49.13 78.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -50.17 -59.94 3.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 110.354 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -59.78 -35.01 73.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.228 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.19 -58.82 5.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CB ' HD12 ' A' ' 78' ' ' LEU . 6.9 tt -66.28 -31.93 73.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -70.13 -6.86 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.68 -39.74 2.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -100.2 -171.8 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -142.28 -44.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 37' ' ' ASP . 7.6 mt -67.33 86.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.464 ' HG2' ' CG2' ' A' ' 81' ' ' VAL . 2.6 mt-10 -34.42 -41.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -51.69 -53.95 33.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -67.31 -28.93 68.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.217 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 34' ' ' ILE . 13.0 mt -63.77 -47.13 92.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.31 90.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.3 -31.08 71.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.24 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -71.85 -38.72 70.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.903 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.9 mt -65.65 -54.1 31.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -54.49 -47.12 73.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.22 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 18.5 ttmm -63.8 -38.39 90.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -56.97 12.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.435 ' CZ ' ' HB1' ' A' ' 21' ' ' ALA . 2.1 m-30 -72.71 -44.45 61.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 52' ' ' PRO . 0.8 OUTLIER -50.28 -26.33 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.243 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -44.11 -86.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.227 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.24 70.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.412 ' OH ' ' SD ' ' A' ' 17' ' ' MET . 0.7 OUTLIER -137.15 -69.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.41 ' O ' ' HD3' ' A' ' 87' ' ' LYS . 5.0 t-20 -177.49 70.84 0.22 Allowed Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.431 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -75.0 159.56 41.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.431 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 8.5 t -98.75 152.8 19.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 110.438 0.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.442 ' CE3' HD21 ' A' ' 85' ' ' LEU . 40.8 m95 -104.22 169.5 8.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 93.2 m-70 -140.63 116.88 10.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.639 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 10.4 t -112.65 143.27 44.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 108.318 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.9 mm -130.23 151.67 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.207 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.522 ' CG ' ' HE3' ' A' ' 13' ' ' MET . 30.9 m-70 -140.19 117.62 11.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.65 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -128.18 166.97 17.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 111.042 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.595 HG12 ' CD1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -160.5 121.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.241 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -113.85 119.14 36.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 111.071 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.595 ' CD1' HG12 ' A' ' 74' ' ' ILE . 0.7 OUTLIER -152.21 -179.87 7.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 8.9 t80 -99.76 125.97 45.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.475 HD12 ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -107.87 112.79 25.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.466 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 66.24 -91.63 0.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -138.03 24.14 2.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 0.786 . . . . 0.0 110.327 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.6 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 33.0 m -141.17 178.09 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.04 157.38 15.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.4 HG21 ' CE1' ' A' ' 76' ' ' PHE . 2.5 tt -154.01 122.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.44 120.7 28.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.442 HD21 ' CE3' ' A' ' 54' ' ' TRP . 0.7 OUTLIER -118.16 151.07 38.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 55' ' ' HIS . 33.0 p90 -159.19 147.56 17.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.062 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.418 ' HE2' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -99.03 102.95 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.418 ' N ' ' HE2' ' A' ' 87' ' ' LYS . 43.1 t . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.406 0.146 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -95.06 82.43 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 110.009 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.51 -167.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -143.46 -86.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.13 -154.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.66 116.38 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -74.74 165.49 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.47 HG13 ' CB ' ' A' ' 76' ' ' PHE . 1.2 mp -137.98 126.06 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HD2' ' CZ ' ' A' ' 75' ' ' TYR . 3.3 mttm -89.85 -84.06 0.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -111.75 141.88 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.208 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -144.68 -48.62 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 43.72 73.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttm -168.47 -177.17 3.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 16' ' ' GLU . 22.7 t -89.69 139.97 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.7 OUTLIER -48.76 -21.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 14' ' ' SER . 34.1 mm-40 -59.93 -64.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.516 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 7.4 mmt -79.67 -30.71 41.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 1.3 tm0? -66.77 -47.47 72.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.545 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -71.21 -46.55 60.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -61.28 -45.47 94.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -63.18 -61.48 2.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -53.22 -26.04 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -64.0 -63.24 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 22.9 m -59.33 -26.67 65.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 108.342 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.68 -72.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' A' ' 27' ' ' GLN . 11.0 t -50.11 -51.49 42.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.427 ' N ' ' CG2' ' A' ' 26' ' ' THR . 3.9 mm-40 -54.83 -47.38 74.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 24' ' ' CYS . . . -51.61 -53.32 39.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.487 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 3.4 tt -65.64 -26.99 68.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.83 3.57 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.25 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -126.17 -41.76 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.442 ' CB ' HG12 ' A' ' 38' ' ' ILE . 5.6 m-85 -102.28 162.59 12.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -116.44 -28.13 6.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' ASP . 4.5 mp -79.87 86.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' ILE . 1.1 mt-10 -37.04 -52.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -45.41 15.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 34' ' ' ILE . 5.9 t70 -74.56 -27.56 60.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 19.6 mt -64.85 -56.45 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.32 90.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.245 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.16 -30.27 70.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.476 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 2.9 t80 -75.94 -34.66 59.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.438 ' CD1' HD12 ' A' ' 83' ' ' ILE . 10.4 mt -67.8 -55.5 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -49.8 76.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -59.84 -42.32 93.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 6.3 tp10 -55.76 -48.46 75.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' LYS . 1.1 m-85 -75.26 -68.65 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.05 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -35.89 -33.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -34.99 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -133.12 66.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.433 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 1.2 t80 -141.79 -67.69 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 5.7 t30 -176.05 72.59 0.26 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.446 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.0 Cg_endo -75.01 158.79 41.96 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.519 1.8 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.446 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 5.0 t -99.78 151.47 21.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 0.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.532 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 41.3 m95 -102.11 149.55 24.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 13.2 m170 -125.82 117.02 22.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.6 p -117.55 152.43 35.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 108.287 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.8 mm -135.28 147.81 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -132.57 94.91 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.94 -96.79 1.05 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.397 1.061 . . . . 0.0 110.95 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.09 -42.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 110.326 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -147.64 147.42 29.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.495 ' CD2' ' HB2' ' A' ' 84' ' ' LEU . 1.8 m-85 -137.8 99.26 3.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -119.29 97.37 0.68 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -141.16 -80.32 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.556 0.798 . . . . 0.0 109.983 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.579 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 3.2 t80 57.81 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.579 ' HB ' ' CE2' ' A' ' 65' ' ' TYR . 10.0 p -79.56 54.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -155.44 -65.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.47 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' GLU . 6.7 m-70 -113.41 43.39 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -35.96 152.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.4 p -138.69 -145.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -64.21 1.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.42 120.02 27.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.535 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.5 p90 -141.07 162.52 35.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.584 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -160.79 119.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.223 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.464 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 1.5 t80 -113.11 115.66 28.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.584 ' CD1' HG12 ' A' ' 74' ' ' ILE . 1.7 p90 -146.16 178.2 8.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 111.007 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 5.4 t80 -103.82 117.14 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 26' ' ' THR . 5.1 tp -97.88 117.84 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 63.48 -83.87 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.569 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -148.14 28.54 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.33 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.594 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 20.0 m -140.48 169.65 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.35 150.84 21.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.438 HD12 ' CD1' ' A' ' 42' ' ' ILE . 4.6 tt -151.15 117.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -119.9 103.4 9.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.9 tt -100.54 143.54 30.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.358 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 41.1 p90 -160.57 142.88 12.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.532 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 8.5 tptp -99.49 111.72 24.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.528 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 37.2 t -130.53 127.2 38.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.578 1.174 . . . . 0.0 110.979 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.529 0.204 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.94 133.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -159.49 0.05 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.557 1.161 . . . . 0.0 109.235 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -143.23 -70.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.371 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.54 -166.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' VAL . . . -64.76 89.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -40.15 159.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.422 HD13 ' CG2' ' A' ' 22' ' ' VAL . 1.2 mp -136.2 149.77 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' CE ' ' OH ' ' A' ' 75' ' ' TYR . 2.5 mtmm -111.0 -75.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -128.03 143.93 51.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.18 -58.72 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 t0 55.69 81.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 73' ' ' PHE . 3.1 ttm -170.29 -169.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 16' ' ' GLU . 5.3 t -94.58 127.64 40.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -40.71 -27.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.243 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -53.68 -67.12 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.302 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.406 ' SD ' ' SD ' ' A' ' 13' ' ' MET . 12.8 ptp -78.17 -40.13 38.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 1.4 tm0? -55.47 -47.46 76.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.536 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 1.1 tm0? -71.56 -48.02 51.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.389 1.056 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 44.0 t0 -51.37 -47.53 62.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 22' ' ' VAL . . . -67.87 -71.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.236 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -37.21 -34.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.434 ' N ' ' C ' ' A' ' 21' ' ' ALA . 24.2 t0 -65.3 -59.46 4.02 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . 97.3 m -54.95 -31.35 60.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.466 ' HB3' ' CD2' ' A' ' 78' ' ' LEU . . . -65.75 -68.96 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 27' ' ' GLN . 8.1 t -48.7 -40.44 28.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.412 ' N ' HG22 ' A' ' 26' ' ' THR . 4.9 mm-40 -64.45 -38.89 92.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.52 ' C ' ' CD1' ' A' ' 38' ' ' ILE . . . -59.04 -51.96 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -65.58 -12.61 54.6 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -102.72 -1.65 29.6 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -120.4 -48.93 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.46 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 19.5 m-85 -96.96 166.57 11.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.593 1.183 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -125.74 10.28 7.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' ILE . 5.1 mp -119.57 108.91 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 3.6 mt-10 -50.25 -53.38 28.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -46.2 57.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -70.96 -29.55 65.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.52 ' CD1' ' C ' ' A' ' 28' ' ' ALA . 1.6 mm -64.69 -56.56 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.18 76.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.4 73.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 30.0 t80 -75.37 -38.24 60.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.47 ' CD1' HD13 ' A' ' 83' ' ' ILE . 71.4 mt -66.57 -52.0 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 3.4 tmtt? -58.82 -49.11 78.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -60.99 -39.63 90.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.217 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -53.27 -55.74 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.45 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 2.4 m-30 -74.26 -20.65 60.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 9.9 t0 -77.2 -18.63 57.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -52.41 -93.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.7 70.77 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 46' ' ' PHE . 1.1 t80 -137.79 -66.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.477 HD22 ' NH2' ' A' ' 71' ' ' ARG . 16.4 t-20 -175.54 66.46 0.25 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.477 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.5 Cg_endo -75.01 160.72 39.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.477 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 1.4 t -96.84 152.43 18.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.364 1.04 . . . . 0.0 110.348 0.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.585 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 46.4 m95 -103.51 166.0 10.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 108.029 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 86.4 m-70 -141.34 118.38 11.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.625 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.8 t -108.72 146.13 33.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 108.374 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.455 ' HB ' ' CD1' ' A' ' 84' ' ' LEU . 12.9 mm -132.4 157.82 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -136.16 -177.82 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.059 . . . . 0.0 109.365 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.92 -92.95 0.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.585 1.178 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.63 -43.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 110.313 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -137.75 -166.84 2.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.666 ' CE1' ' CD1' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -104.13 -142.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 111.05 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.02 -16.18 1.74 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.0 m -113.14 86.27 2.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 109.959 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 48.3 p90 -160.34 -43.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.528 ' HB ' ' CE2' ' A' ' 65' ' ' TYR . 8.8 p -89.85 44.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.1 m -153.64 -53.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -110.16 -27.73 9.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.639 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 64.91 162.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 71' ' ' ARG . 46.0 p -144.45 126.37 15.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.477 ' NH2' HD22 ' A' ' 51' ' ' ASN . 12.5 mtp85 -32.86 -70.47 0.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 1.3 m-70 -127.0 136.43 52.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.592 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -145.49 167.02 24.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.601 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -160.59 121.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.479 ' CD2' ' O ' ' A' ' 75' ' ' TYR . 4.6 t80 -114.88 110.17 19.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.601 ' CD1' HG12 ' A' ' 74' ' ' ILE . 1.6 p90 -139.86 -179.63 6.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 12.9 t80 -101.86 122.22 43.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 25' ' ' ALA . 3.2 tp -105.67 109.54 21.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.81 -97.34 0.41 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 111.07 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.408 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 1.2 pp0? -128.69 13.46 6.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.458 0.74 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 0.5 OUTLIER -129.54 -179.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -106.45 162.29 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.565 ' CG2' ' CZ ' ' A' ' 76' ' ' PHE . 1.1 tt -154.68 121.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.666 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -123.58 101.52 7.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.533 1.145 . . . . 0.0 109.224 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.61 145.6 25.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 55' ' ' HIS . 25.8 p90 -160.02 149.13 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.585 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 16.0 tptm -110.38 119.43 39.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.387 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.4 t -130.11 85.22 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.506 0.194 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -101.96 -147.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.947 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 50.31 -155.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -139.71 15.86 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.221 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.73 106.21 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 70.18 -71.24 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.2 t 69.61 168.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.444 HG13 ' CB ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -146.29 134.79 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.54 -70.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.06 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -127.54 154.01 45.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.95 -48.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 42.05 62.97 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.485 ' CG ' ' HB2' ' A' ' 18' ' ' GLN . 3.3 ptm -163.0 -173.89 3.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -89.85 146.92 24.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.595 1.184 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.3 tt0 -51.72 -20.37 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -61.83 -56.34 20.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -80.2 -35.48 36.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 111.073 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.485 ' HB2' ' CG ' ' A' ' 13' ' ' MET . 16.5 tt0 -64.99 -46.53 81.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -71.35 -53.7 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 56.7 t0 -54.57 -49.69 69.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -57.52 -69.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -43.03 -26.69 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 21' ' ' ALA . 1.4 t0 -65.75 -57.97 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 21' ' ' ALA . 24.2 p -63.11 -33.12 74.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 108.277 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.449 ' CB ' HD11 ' A' ' 78' ' ' LEU . . . -63.72 -72.14 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.394 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.443 ' N ' HD11 ' A' ' 78' ' ' LEU . 66.5 p -49.13 -50.52 37.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.625 1.203 . . . . 0.0 110.39 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -54.41 -47.91 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.389 1.056 . . . . 0.0 110.313 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.18 -53.03 38.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 78' ' ' LEU . 8.1 tt -66.37 -25.83 66.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.71 11.79 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.213 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.94 -44.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 36.4 m-85 -94.41 166.35 12.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.96 7.94 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 37' ' ' ASP . 63.4 mt -121.36 95.49 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' ILE . 1.2 mp0 -36.82 -45.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.231 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -51.0 -50.55 58.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -70.81 -26.87 63.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 41' ' ' TYR . 4.7 mt -64.41 -65.19 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.66 -34.76 71.59 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 44' ' ' LYS . . . -65.86 -33.2 75.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 46.9 t80 -76.22 -34.72 59.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.977 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.0 mt -66.81 -60.7 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -57.17 -51.26 70.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -57.74 -40.76 80.42 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 7.9 tp10 -58.06 -48.0 81.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.5 m-85 -75.33 -70.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.642 1.214 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.502 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.29 -41.12 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -32.92 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.537 1.148 . . . . 0.0 109.379 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 70.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.434 ' OH ' ' CG ' ' A' ' 17' ' ' MET . 1.0 OUTLIER -147.15 -69.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.9 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -176.41 74.17 0.26 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.462 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.04 160.07 40.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.492 ' O ' ' CD ' ' A' ' 87' ' ' LYS . 3.7 t -100.22 152.82 19.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.46 -0.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.438 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 41.7 m95 -104.27 159.26 15.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 107.949 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 83.9 m-70 -140.72 117.46 10.98 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.576 1.173 . . . . 0.0 109.565 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 28.0 p -122.65 157.29 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.5 mm -134.31 155.48 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.359 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.455 ' O ' ' CG1' ' A' ' 58' ' ' VAL . 7.9 p -121.87 78.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -118.36 -112.24 2.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.438 ' HA ' ' CB ' ' A' ' 82' ' ' ALA . 4.3 mtm-85 -155.16 -42.95 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.346 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -149.2 156.05 41.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 84' ' ' LEU . 9.9 m-85 -141.78 -151.44 0.36 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -170.7 -129.37 1.11 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.555 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER 70.03 -85.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.798 . . . . 0.0 109.96 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.546 ' CG ' ' N ' ' A' ' 66' ' ' VAL . 8.5 t80 34.61 -90.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' A' ' 64' ' ' SER . 7.7 p -83.74 51.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.9 m -153.49 -57.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 69' ' ' GLU . 1.3 m170 -94.83 -37.18 11.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.589 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' C ' ' CG2' ' A' ' 70' ' ' THR . 38.6 mt-10 58.26 154.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.491 ' OG1' ' CD1' ' A' ' 73' ' ' PHE . 25.3 p -150.17 -144.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? -119.1 -66.69 1.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 110.332 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -132.19 117.65 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.584 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -138.94 158.63 43.85 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 111.079 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.579 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -160.81 118.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.464 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 1.2 t80 -112.32 115.32 28.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.557 1.16 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.579 ' CD1' HG12 ' A' ' 74' ' ' ILE . 1.7 p90 -144.39 -179.49 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.565 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 2.7 t80 -107.14 118.36 36.5 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.456 1.097 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.499 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 5.8 tp -95.34 105.61 17.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.163 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.11 -80.36 0.14 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.565 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -149.02 24.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 0.789 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.0 t -135.42 149.49 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 60' ' ' ARG . . . -84.24 142.48 30.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 2.0 tt -147.11 117.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -123.04 109.63 14.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 56' ' ' CYS . 1.3 tp -103.58 145.47 29.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 55' ' ' HIS . 48.6 p90 -160.87 143.0 12.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 53' ' ' THR . 12.2 tptp -108.1 102.02 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.408 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.8 p -132.34 113.31 13.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.546 1.154 . . . . 0.0 110.891 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.0 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.486 0.184 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -153.76 75.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.007 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.63 102.56 14.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -143.37 30.89 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.418 1.073 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.17 167.31 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.59 101.36 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 8' ' ' ILE . 68.6 t -84.29 165.28 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.451 ' N ' ' CG1' ' A' ' 7' ' ' VAL . 1.0 OUTLIER -142.61 137.55 28.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.256 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.564 ' NZ ' ' CZ ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -94.32 -100.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.63 120.76 42.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.452 ' CB ' HG13 ' A' ' 74' ' ' ILE . . . -154.16 67.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.17 99.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.44 ' HE3' ' CD2' ' A' ' 72' ' ' HIS . 1.3 tpt -165.85 175.61 8.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 16' ' ' GLU . 14.1 t -89.85 145.88 24.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.1 tt0 -47.81 -22.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.361 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -59.19 -63.0 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.534 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 13.7 ttt -79.66 -32.6 41.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -65.02 -45.87 83.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -71.89 -52.82 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 33.5 t0 -55.6 -50.36 70.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -57.63 -70.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 19' ' ' GLN . 1.1 p -42.51 -26.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -65.46 -57.94 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 21' ' ' ALA . 30.6 p -63.48 -38.1 89.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.98 -72.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.7 m -48.0 -49.99 29.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -53.8 -43.97 69.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.473 ' CB ' ' CG2' ' A' ' 38' ' ' ILE . . . -55.84 -54.22 47.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.479 ' CD2' ' HA3' ' A' ' 79' ' ' GLY . 0.2 OUTLIER -66.11 -14.22 61.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.74 4.03 47.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -130.23 -53.51 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -95.79 159.77 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.98 -27.77 7.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.601 1.188 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' ASP . 4.7 mt -81.25 84.38 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.508 ' HA ' ' CG1' ' A' ' 38' ' ' ILE . 11.7 tm-20 -35.21 -43.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.588 1.18 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -46.4 -51.76 14.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 4.5 t70 -71.45 -25.02 62.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.508 ' CG1' ' HA ' ' A' ' 35' ' ' GLU . 9.5 mt -67.74 -68.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.453 ' CB ' ' OE1' ' A' ' 35' ' ' GLU . . . -54.52 -38.91 67.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.86 -31.94 72.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.483 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 1.2 t80 -76.54 -33.9 58.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.463 ' CD1' HD11 ' A' ' 83' ' ' ILE . 10.4 mt -66.32 -52.46 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' CG ' ' HB2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -60.92 -48.16 83.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -59.65 -42.27 92.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.94 -46.49 84.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -74.02 -69.28 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.8 -37.64 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -31.87 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -129.62 69.05 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -142.93 -69.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -176.4 73.46 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -75.01 159.79 40.89 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.555 1.819 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.422 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 6.3 t -99.97 154.08 18.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.433 0.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 40.1 m95 -105.46 166.79 10.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 67.0 m-70 -141.34 113.98 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.67 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 10.7 t -110.16 145.91 36.42 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.635 1.209 . . . . 0.0 108.379 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.1 mt -134.73 157.14 40.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.503 ' CG1' ' OE2' ' A' ' 35' ' ' GLU . 2.6 p -134.06 95.11 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.1 -94.25 0.6 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.28 -42.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.289 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -110.06 -168.79 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.403 ' HD1' ' CE2' ' A' ' 75' ' ' TYR . 3.3 p90 -113.05 72.66 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' PHE . . . 37.3 -143.15 0.2 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.592 1.182 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 66' ' ' VAL . 48.7 m -89.81 -42.8 11.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.619 ' CG ' ' N ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER 60.68 -71.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.619 ' N ' ' CG ' ' A' ' 65' ' ' TYR . 7.9 p -78.84 56.83 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -154.5 -60.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 69' ' ' GLU . 14.1 t60 -103.53 -34.39 8.69 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.539 1.15 . . . . 0.0 109.615 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 68' ' ' HIS . 3.1 mt-10 59.19 152.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.561 ' OG1' ' CD1' ' A' ' 73' ' ' PHE . 66.7 p -129.56 -146.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.364 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -111.27 -71.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.44 ' CD2' ' HE3' ' A' ' 13' ' ' MET . 40.8 m170 -119.77 110.79 17.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.6 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.635 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -134.35 162.72 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.388 1.055 . . . . 0.0 111.083 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.575 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -160.11 122.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.564 ' CZ ' ' NZ ' ' A' ' 9' ' ' LYS . 27.6 t80 -112.72 121.06 43.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.575 ' CD1' HG12 ' A' ' 74' ' ' ILE . 1.4 p90 -150.82 -179.61 7.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.412 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 3.4 t80 -115.75 112.94 22.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 29' ' ' LEU . 20.2 mt -87.52 118.39 26.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.479 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 59.11 -83.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.436 1.085 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -147.74 35.81 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.6 t -144.66 157.12 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.395 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.35 150.08 22.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.234 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.509 HG22 ' CE2' ' A' ' 76' ' ' PHE . 6.0 tt -151.62 121.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.47 111.13 15.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -109.23 143.16 39.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 45.4 p90 -159.43 145.13 16.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.568 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -101.34 116.98 34.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p -135.97 113.8 11.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.526 0.203 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.63 91.0 3.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.948 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -85.78 -173.98 4.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.88 -93.73 0.12 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.45 1.093 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.29 77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.7 96.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.8 t -117.66 146.22 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 109.274 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.442 ' CG1' HG22 ' A' ' 22' ' ' VAL . 1.6 mt -128.47 128.71 68.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.216 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.13 -78.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -108.32 143.77 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.35 -46.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.0 t70 46.38 66.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.07 -174.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.0 t -89.75 139.89 30.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 110.043 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 1.3 tt0 -50.06 -20.86 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.357 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -61.33 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.35 -33.96 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.4 -46.53 82.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -71.39 -46.85 59.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.369 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 13.1 t70 -58.35 -45.89 87.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.212 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -65.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.508 HG23 ' CD2' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -48.21 -25.32 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -66.45 -64.79 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.401 ' SG ' ' OE2' ' A' ' 45' ' ' GLU . 97.7 m -54.65 -36.17 64.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.326 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' O ' HD22 ' A' ' 78' ' ' LEU . . . -61.1 -68.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.428 ' N ' HD11 ' A' ' 78' ' ' LEU . 24.0 m -47.42 -51.61 19.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.609 1.193 . . . . 0.0 110.352 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -54.31 -38.48 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.79 -56.25 24.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.065 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.479 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -66.43 -13.9 61.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.45 1.05 51.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -128.7 -46.74 1.28 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.469 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 29.7 m-85 -99.68 158.39 15.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -117.97 -6.26 10.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 mp -102.8 111.0 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' ILE . 2.0 tm-20 -50.5 -53.23 31.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.173 . . . . 0.0 110.261 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 55.2 mttt -43.62 -50.74 7.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.338 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.6 -31.63 70.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 1.6 mm -64.71 -69.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.1 -31.96 53.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 36' ' ' LYS . . . -67.33 -34.48 77.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.463 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 69.4 t80 -72.46 -39.53 67.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.441 ' CD1' HD11 ' A' ' 83' ' ' ILE . 38.5 mt -67.23 -59.05 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -50.7 -51.0 53.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -62.8 -34.27 76.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -53.88 -64.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.793 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 2.6 m-85 -73.74 -49.62 24.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 4.3 t70 -39.48 -39.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.35 -69.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -146.63 71.6 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.793 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 9.2 t80 -153.4 34.59 0.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.8 70.18 0.3 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.23 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.524 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -74.95 163.06 36.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.524 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 1.1 t -102.61 159.93 15.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.457 1.098 . . . . 0.0 110.416 -0.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.653 ' CZ2' ' CD2' ' A' ' 50' ' ' TYR . 39.8 m95 -107.64 168.89 8.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.635 1.209 . . . . 0.0 107.967 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 39.9 m-70 -140.57 126.94 19.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.632 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.4 t -114.54 138.97 49.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 1.077 . . . . 0.0 108.318 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.7 mm -124.84 151.46 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.444 ' CG1' ' CD ' ' A' ' 35' ' ' GLU . 5.6 p -135.13 99.79 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.38 1.05 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.51 -97.74 0.26 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -155.91 -43.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 110.359 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.25 -166.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CE1' ' CD2' ' A' ' 75' ' ' TYR . 4.3 m-85 -86.31 -142.77 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -143.57 -141.46 3.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -54.47 -57.34 11.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 0.734 . . . . 0.0 110.038 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.431 ' CE1' ' HB3' ' A' ' 62' ' ' PHE . 0.2 OUTLIER 64.03 -73.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.437 1.086 . . . . 0.0 110.961 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 64' ' ' SER . 5.0 p -81.0 55.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.8 m -152.73 -67.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.088 . . . . 0.0 110.395 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -26.05 16.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.634 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' C ' ' CG2' ' A' ' 70' ' ' THR . 8.8 mt-10 63.26 166.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.578 ' OG1' ' CD1' ' A' ' 73' ' ' PHE . 31.2 p -150.14 118.67 6.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' THR . 2.1 mmm180 -35.98 -66.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.43 154.06 48.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 109.633 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD1' ' OG1' ' A' ' 70' ' ' THR . 8.7 p90 -169.37 171.69 7.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.476 HG12 ' CD1' ' A' ' 76' ' ' PHE . 1.4 tt -160.43 119.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.568 ' CD2' ' CE1' ' A' ' 62' ' ' PHE . 19.1 t80 -113.08 113.13 25.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 1.5 p90 -138.67 178.48 7.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -106.18 121.96 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 26' ' ' THR . 3.6 tp -104.6 102.46 12.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.358 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.58 -100.42 0.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.48 -10.25 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.736 . . . . 0.0 110.311 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.72 147.67 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.73 168.69 14.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.698 ' CG2' ' CZ ' ' A' ' 76' ' ' PHE . 1.6 tt -161.4 128.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.31 118.13 16.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.1 tp -110.06 148.53 31.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 6.2 p90 -159.05 157.38 31.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 6.8 tptt -117.46 102.11 8.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.6 t -114.23 -72.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.649 1.218 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.164 . . . . 0.0 110.979 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mtp . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.45 0.167 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -99.72 84.68 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.96 115.06 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -150.28 50.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.345 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.33 170.86 9.5 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -40.89 138.44 1.04 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -125.81 150.35 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.2 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.474 ' CD1' HG23 ' A' ' 22' ' ' VAL . 1.7 mt -123.91 141.36 44.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HE3' ' CZ ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.91 -69.62 0.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -136.0 108.63 7.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.442 ' CB ' HG13 ' A' ' 74' ' ' ILE . . . -156.76 57.89 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 13' ' ' MET . 1.4 m-20 -49.89 -88.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.441 ' SD ' ' CD2' ' A' ' 72' ' ' HIS . 0.0 OUTLIER 36.84 -156.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 16' ' ' GLU . 11.9 t -109.01 131.94 54.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.108 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 1.5 tt0 -45.02 -24.03 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -56.4 -65.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.222 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 18' ' ' GLN . 5.2 ppp? -78.5 -36.53 44.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.454 ' N ' ' SD ' ' A' ' 17' ' ' MET . 2.5 tt0 -60.25 -48.01 83.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.356 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -70.68 -54.05 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 14.1 t70 -50.33 -45.36 54.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.068 . . . . 0.0 109.205 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 46' ' ' PHE . . . -66.52 -73.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.481 HG21 ' CE2' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -36.82 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.384 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' ALA . 34.8 t70 -64.65 -61.89 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.386 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.7 m -57.36 -29.98 64.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 108.33 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.42 -74.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.466 ' HA ' ' CD1' ' A' ' 78' ' ' LEU . 6.4 t -47.29 -46.26 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 26' ' ' THR . 11.1 mm-40 -59.07 -44.28 91.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.398 1.061 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' HB1' ' CG2' ' A' ' 38' ' ' ILE . . . -54.67 -51.57 65.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.427 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 3.3 tt -65.85 -26.89 67.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.23 3.5 39.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -125.74 -42.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -107.83 161.05 15.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -115.03 -25.06 8.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' ASP . 3.3 mp -84.36 85.53 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.492 ' HA ' ' CG1' ' A' ' 38' ' ' ILE . 3.5 tm-20 -34.69 -45.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.468 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -45.16 -51.47 10.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.597 1.185 . . . . 0.0 109.262 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -71.9 -27.92 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.492 ' CG1' ' HA ' ' A' ' 35' ' ' GLU . 10.0 mt -64.99 -68.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' O ' ' SG ' ' A' ' 56' ' ' CYS . . . -57.35 -32.64 66.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 36' ' ' LYS . . . -66.23 -33.72 76.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.503 ' CE2' ' HG3' ' A' ' 45' ' ' GLU . 39.5 t80 -74.89 -36.58 62.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 39.0 mt -68.04 -55.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -51.03 70.58 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 18.0 ttpp -63.64 -35.02 79.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' HG3' ' CE2' ' A' ' 41' ' ' TYR . 2.9 mm-40 -53.55 -58.67 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.215 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 21' ' ' ALA . 2.9 m-85 -73.51 -43.73 59.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.634 1.209 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 52' ' ' PRO . 8.1 t0 -48.24 -31.2 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 2.9 mmmt -50.3 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -141.3 71.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.505 ' CE2' ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -155.97 44.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 111.016 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 64.08 68.48 0.83 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.56 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.99 164.24 33.77 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.475 1.776 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.56 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 0.6 OUTLIER -102.22 162.65 12.75 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 110.437 0.071 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.519 ' CE2' ' HG3' ' A' ' 87' ' ' LYS . 21.1 m95 -112.97 159.69 18.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 108.035 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 53.0 m-70 -140.4 123.44 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.584 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.431 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 15.2 p -119.59 143.56 47.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.42 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.9 mp -124.68 152.37 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.485 ' CG1' HG22 ' A' ' 81' ' ' VAL . 60.2 t -134.72 96.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.374 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -136.09 -87.96 0.24 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.6 1.187 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -155.56 -42.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.234 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -139.72 -170.07 2.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.405 ' CD2' ' N ' ' A' ' 63' ' ' GLY . 51.2 p90 -128.72 -159.54 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.582 1.176 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' TYR . . . -168.3 -55.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.4 p -62.27 78.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 0.73 . . . . 0.0 109.971 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 63' ' ' GLY . 27.5 t80 -137.55 -50.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.4 p -123.28 52.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 p -148.75 -56.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -110.51 -30.14 7.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.607 1.192 . . . . 0.0 109.59 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.66 160.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.2 p -138.29 -146.02 0.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.448 1.092 . . . . 0.0 110.427 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -112.29 -64.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.441 ' CD2' ' SD ' ' A' ' 13' ' ' MET . 17.9 m170 -130.69 127.87 39.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.642 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.443 ' HB3' ' CB ' ' A' ' 86' ' ' PHE . 5.1 p90 -152.25 166.32 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.569 HG12 ' CE1' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -160.92 117.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.436 ' CZ ' ' HE3' ' A' ' 9' ' ' LYS . 4.3 t80 -112.6 115.22 28.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.569 ' CE1' HG12 ' A' ' 74' ' ' ILE . 1.9 p90 -146.32 179.44 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.522 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 4.3 t80 -106.42 120.59 42.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 26' ' ' THR . 5.0 tp -96.61 111.14 23.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.86 -81.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.568 1.167 . . . . 0.0 111.065 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.522 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -147.97 34.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.243 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.485 HG22 ' CG1' ' A' ' 58' ' ' VAL . 4.4 p -145.07 154.12 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.89 141.2 28.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.423 HG13 ' CG2' ' A' ' 58' ' ' VAL . 2.3 tt -147.53 119.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.34 114.4 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 56' ' ' CYS . 0.4 OUTLIER -109.44 142.5 40.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.443 ' CB ' ' HB3' ' A' ' 73' ' ' PHE . 46.3 p90 -154.64 160.17 41.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.521 ' CE ' ' O ' ' A' ' 53' ' ' THR . 0.0 OUTLIER -114.86 100.86 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.417 ' N ' ' HE2' ' A' ' 87' ' ' LYS . 14.9 p -124.09 112.08 16.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 110.04 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.436 ' N ' ' NZ ' ' A' ' 87' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.411 0.148 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.34 65.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.78 174.62 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.434 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 1.7 mpt_? -132.71 -52.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.94 174.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.75 -61.66 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 4' ' ' ARG . 37.5 t 64.6 158.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.41 HD12 ' CG2' ' A' ' 22' ' ' VAL . 1.2 mp -150.77 138.83 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.2 -66.24 0.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -147.61 111.01 4.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' MET . . . -139.78 66.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.1 91.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -167.3 -177.75 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -89.84 146.56 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.1 OUTLIER -50.4 -20.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -60.52 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 110.264 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 1.3 mpp? -80.58 -33.77 35.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 16.1 tt0 -65.12 -45.78 83.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.563 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -72.26 -52.34 16.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 24.8 t0 -55.61 -51.04 68.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -56.07 -66.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.378 1.049 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -48.95 -23.22 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 20' ' ' ASP . 1.2 t0 -65.89 -60.42 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.1 m -63.33 -29.82 71.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 108.348 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.93 -70.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.473 ' HA ' ' CD2' ' A' ' 78' ' ' LEU . 14.8 t -48.38 -46.28 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -59.25 -43.62 92.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.53 ' HB2' ' CE2' ' A' ' 41' ' ' TYR . . . -53.91 -52.26 61.13 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.444 1.09 . . . . 0.0 109.355 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.416 HD21 ' CA ' ' A' ' 79' ' ' GLY . 0.7 OUTLIER -66.21 -24.72 66.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -87.85 9.4 22.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -134.3 -44.62 0.77 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.072 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -95.62 -170.46 2.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -144.29 -45.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 37' ' ' ASP . 2.3 mp -67.56 84.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.227 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.496 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 3.4 mt-10 -32.55 -42.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.377 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -51.3 -53.32 37.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 34' ' ' ILE . 12.0 t0 -69.69 -25.83 64.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.496 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 24.2 mt -64.74 -50.29 76.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.569 1.168 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.426 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -66.0 -39.64 90.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.66 -30.47 70.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.53 ' CE2' ' HB2' ' A' ' 28' ' ' ALA . 24.8 t80 -72.06 -39.44 69.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.4 mt -66.82 -61.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -50.27 -51.89 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.371 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.02 -37.32 82.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -54.94 -51.43 66.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 110.302 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.595 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -75.52 -64.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.108 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -38.01 -33.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.355 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 2.2 tppp? -36.17 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -138.89 65.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.595 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 2.4 t80 -138.83 -68.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -175.54 73.2 0.28 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.474 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.15 160.46 39.63 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.474 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 4.9 t -99.49 156.79 16.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 0.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.462 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 44.9 m95 -108.94 157.98 18.13 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 17.6 m-70 -140.8 110.85 6.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.626 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 57' ' ' ILE . 4.2 t -119.65 155.0 33.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 108.185 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.484 ' N ' ' SG ' ' A' ' 56' ' ' CYS . 26.8 mm -135.34 164.9 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 96.4 t -130.07 87.47 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.93 -98.63 0.9 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.387 1.055 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.3 -42.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 0.749 . . . . 0.0 110.318 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -133.82 -167.11 1.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.563 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -105.41 -144.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.61 -79.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.1 p -98.53 87.26 3.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.442 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 2.2 t80 -131.61 -44.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.988 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.7 p -91.89 37.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 t -155.28 -58.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.395 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.487 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 79.7 t60 -97.32 -31.38 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.56 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 11.7 pt-20 45.61 -172.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.126 . . . . 0.0 110.234 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.414 ' CG2' ' C ' ' A' ' 69' ' ' GLU . 24.4 p -149.04 -146.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.405 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -104.92 -64.35 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -128.44 119.93 25.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 0.0 109.609 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.51 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 2.1 p90 -139.99 160.39 40.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.622 1.201 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.512 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -161.26 119.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.416 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -115.07 114.95 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.538 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 1.5 p90 -140.45 -179.68 6.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.097 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.485 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 3.7 t80 -111.31 112.53 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.099 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.477 ' HG ' ' CE2' ' A' ' 76' ' ' PHE . 18.1 mt -90.27 117.65 29.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.416 ' CA ' HD21 ' A' ' 29' ' ' LEU . . . 64.33 -84.86 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.485 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 11.1 pt20 -147.42 28.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.242 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.432 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 7.2 p -139.83 162.34 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.6 152.48 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 78' ' ' LEU . 8.0 tt -152.51 121.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.308 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.591 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -117.41 122.76 44.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 8.5 tt -122.4 128.91 51.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.361 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 5.6 p90 -145.85 147.96 32.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.462 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -104.08 121.54 43.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.47 111.43 5.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.935 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.465 0.174 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.79 89.12 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.05 163.47 21.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -142.36 -64.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.187 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.11 -166.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -46.05 104.14 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 8' ' ' ILE . 45.3 t -66.07 162.75 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.472 HG13 ' CB ' ' A' ' 76' ' ' PHE . 1.8 mp -134.52 133.12 54.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -89.83 -61.12 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -147.02 134.58 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.52 ' CB ' ' NE2' ' A' ' 18' ' ' GLN . . . -153.08 -47.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 13' ' ' MET . 0.4 OUTLIER 64.36 -162.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 109.253 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.583 ' HE2' ' CE1' ' A' ' 72' ' ' HIS . 1.4 ttt 76.96 -171.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.43 ' CB ' ' HG2' ' A' ' 16' ' ' GLU . 7.1 t -89.5 142.3 27.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 110.024 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -47.36 -23.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.398 1.061 . . . . 0.0 110.381 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HG2' ' CB ' ' A' ' 14' ' ' SER . 9.2 pt-20 -59.7 -52.64 64.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.414 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -79.48 -41.16 28.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 111.054 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.52 ' NE2' ' CB ' ' A' ' 11' ' ' ALA . 2.5 tp60 -61.12 -43.74 98.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -70.57 -56.58 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.222 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 38.5 t0 -50.66 -44.32 57.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' C ' ' N ' ' A' ' 23' ' ' ASP . . . -65.42 -70.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -41.16 -29.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 8.0 t70 -65.12 -62.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.9 m -56.68 -29.86 62.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 108.249 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.84 -73.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.42 ' N ' HD21 ' A' ' 78' ' ' LEU . 16.3 m -48.73 -50.32 34.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -54.18 -49.16 69.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB3' ' CE1' ' A' ' 41' ' ' TYR . . . -50.95 -52.6 40.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.367 1.042 . . . . 0.0 109.228 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.84 -22.08 66.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.24 9.36 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -132.38 -45.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.653 1.221 . . . . 0.0 109.236 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.422 ' CB ' HG12 ' A' ' 38' ' ' ILE . 43.6 m-85 -96.5 176.85 5.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -130.66 -43.61 1.11 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.43 1.081 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' A' ' 37' ' ' ASP . 2.9 mt -67.62 83.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 7.7 mp0 -33.79 -43.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 110.261 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.39 -51.04 49.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 34' ' ' ILE . 6.7 t70 -71.72 -24.46 61.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 20.6 mt -66.02 -51.95 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.34 92.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.28 -28.76 68.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 28' ' ' ALA . 1.5 t80 -74.32 -37.24 63.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.9 mt -66.89 -52.79 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -60.35 -49.66 76.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HA ' ' OD1' ' A' ' 47' ' ' ASP . 15.7 ttpt -59.09 -41.26 87.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 45' ' ' GLU . 10.2 tm-20 -54.74 -52.64 61.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.19 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -73.44 -65.92 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.75 -32.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.07 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.512 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -36.09 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -132.92 66.57 1.56 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.399 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -138.99 -68.72 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 0.0 111.081 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 1.6 m120 -176.03 73.17 0.26 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.436 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.7 Cg_endo -74.92 160.3 40.56 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.57 1.826 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.436 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 3.4 t -99.61 158.23 15.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -0.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 87' ' ' LYS . 44.7 m95 -111.52 171.98 7.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.009 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 24.2 m-70 -140.58 112.65 7.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.463 1.102 . . . . 0.0 109.638 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.429 ' SG ' ' CD1' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -102.82 133.91 47.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 1.154 . . . . 0.0 108.255 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 58' ' ' VAL . 36.3 mm -135.33 164.19 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.447 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 2.1 p -135.63 93.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.34 -104.53 1.99 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.542 1.152 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -155.35 -43.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.395 0.703 . . . . 0.0 110.314 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -134.1 -69.19 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' C ' ' CE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -135.23 -159.2 0.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.379 1.049 . . . . 0.0 111.043 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.8 143.99 4.24 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.2 p 52.64 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.625 0.838 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.471 ' CE2' ' CE1' ' A' ' 73' ' ' PHE . 7.1 t80 -160.92 -44.73 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.564 1.165 . . . . 0.0 111.086 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -109.77 42.93 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.26 -68.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 110.457 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' GLU . 47.2 m-70 -105.31 50.38 0.78 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 0.0 109.546 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' HIS . 56.0 mt-10 -37.86 151.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.0 p -127.28 -148.41 0.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -110.34 -67.1 1.01 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.583 ' CE1' ' HE2' ' A' ' 13' ' ' MET . 0.4 OUTLIER -123.78 111.99 16.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.527 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 12.3 p90 -124.25 161.37 25.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.415 1.072 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.576 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -159.66 105.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.591 ' CE2' ' C ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -107.33 104.25 13.81 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.576 ' CD1' HG12 ' A' ' 74' ' ' ILE . 2.0 p90 -133.08 -179.37 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 111.054 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 5.7 t80 -105.56 132.96 51.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.42 HD21 ' N ' ' A' ' 26' ' ' THR . 19.1 mt -115.58 107.68 15.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.13 -92.33 0.3 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -135.34 19.59 3.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 110.315 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.601 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 14.5 m -133.48 170.27 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.58 163.03 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.567 HG21 ' CE2' ' A' ' 76' ' ' PHE . 1.5 tp -154.9 126.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.584 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 27.8 tp -128.12 109.07 11.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.184 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.527 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -111.13 122.14 47.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.355 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 6.6 p90 -142.17 140.45 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -93.01 108.81 20.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.4 t -126.96 139.7 52.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.574 0.226 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -142.42 92.4 2.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.074 . . . . 0.0 110.035 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -110.99 155.5 22.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.8 mtp85 -143.88 35.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -47.14 125.29 7.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.62 101.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 8' ' ' ILE . 78.0 t -86.8 157.54 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.472 ' CD1' HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -140.55 132.96 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -90.25 -90.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.602 1.189 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -112.47 108.32 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.576 ' CB ' ' CD1' ' A' ' 74' ' ' ILE . . . -132.12 -55.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.488 ' O ' ' C ' ' A' ' 13' ' ' MET . 1.0 OUTLIER 54.46 -96.01 0.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.561 ' HG2' ' CE1' ' A' ' 72' ' ' HIS . 2.5 tpt 30.52 -146.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.461 ' C ' ' N ' ' A' ' 16' ' ' GLU . 7.2 t -119.54 137.13 54.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 8.8 tt0 -41.24 -25.94 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.479 1.112 . . . . 0.0 110.198 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 14' ' ' SER . 2.3 mt-10 -60.68 -54.99 38.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.509 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.6 mpt? -81.57 -35.15 30.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -46.61 76.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.363 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -70.88 -47.1 61.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 9.3 t0 -61.75 -44.76 96.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -64.95 -64.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.472 HG21 ' CD1' ' A' ' 8' ' ' ILE . 3.1 p -51.24 -24.62 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -65.98 -65.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 m -58.57 -30.12 66.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 108.308 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.15 -73.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.436 ' N ' HD23 ' A' ' 78' ' ' LEU . 1.1 m -47.65 -42.19 23.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 110.493 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.7 -41.72 99.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.491 ' C ' ' CD1' ' A' ' 38' ' ' ILE . . . -54.5 -50.9 66.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.403 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 5.4 tt -65.45 -18.21 65.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.53 8.26 44.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -130.12 -46.39 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.467 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 26.2 m-85 -106.05 160.4 15.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -114.78 -12.07 12.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.96 105.61 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HA ' ' HB ' ' A' ' 38' ' ' ILE . 3.3 mm-40 -51.01 -47.11 61.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -50.72 -45.5 58.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 5.1 t0 -74.98 -24.32 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.491 ' CD1' ' C ' ' A' ' 28' ' ' ALA . 1.6 mm -68.11 -63.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.44 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -60.89 -38.03 84.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 36' ' ' LYS . . . -66.76 -31.1 71.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 11.5 t80 -75.83 -36.75 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.445 ' CD1' HD11 ' A' ' 83' ' ' ILE . 6.9 mt -65.3 -51.26 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -60.65 -47.77 84.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -59.35 -42.07 90.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' C ' ' CD ' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -56.43 -48.12 77.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.472 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.8 m-85 -74.26 -70.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.071 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.477 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -34.63 -38.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -33.08 -79.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -134.56 66.7 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -139.78 -69.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.404 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 18.2 t-20 -176.86 73.67 0.24 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.152 . . . . 0.0 109.236 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.48 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -74.97 160.44 40.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.468 1.773 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.48 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 9.7 t -99.56 155.45 17.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 -0.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.506 ' CZ3' ' HB3' ' A' ' 72' ' ' HIS . 45.8 m95 -107.92 168.81 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 107.998 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 38.6 m-70 -140.5 116.73 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.68 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.457 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.0 t -113.42 137.35 51.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.457 ' CD1' ' C ' ' A' ' 56' ' ' CYS . 2.1 mp -130.3 150.73 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.54 98.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.96 -94.07 0.55 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.98 -43.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.428 0.722 . . . . 0.0 110.279 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.482 ' ND2' ' H ' ' A' ' 62' ' ' PHE . 3.9 t30 -137.02 -165.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.482 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 6.6 p90 -140.53 -148.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.444 ' N ' ' CG ' ' A' ' 62' ' ' PHE . . . 140.42 69.14 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.98 91.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -160.32 -51.09 0.05 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.24 46.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 m -155.01 -63.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.57 -38.46 9.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.64 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.49 154.76 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.6 p -142.58 -146.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -127.98 -71.85 0.64 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.404 1.065 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 13' ' ' MET . 3.8 t-80 -114.85 112.71 23.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.63 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -140.69 150.56 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.961 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.576 ' CD1' ' CB ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -161.85 115.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.572 ' CE1' ' HE3' ' A' ' 9' ' ' LYS . 1.2 t80 -111.28 120.72 43.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 1.4 p90 -142.53 -179.61 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 4.5 t80 -110.9 117.06 32.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 80' ' ' GLN . 15.1 mt -92.8 116.48 29.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.386 1.053 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.41 -81.37 0.01 OUTLIER Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.432 1.082 . . . . 0.0 111.003 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 4.6 mt-30 -149.43 36.89 0.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.531 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 7.1 p -145.15 160.04 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.62 1.2 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.67 144.85 25.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.445 HD11 ' CD1' ' A' ' 42' ' ' ILE . 5.6 tt -149.53 117.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.22 118.26 30.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.39 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 1.1 tp -114.81 134.26 55.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.172 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 45.4 p90 -153.82 148.61 26.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 53' ' ' THR . 3.4 tptt -112.97 112.1 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.0 t -128.62 146.98 50.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.986 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 110.94 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 mmt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.568 0.223 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.84 115.92 5.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.098 . . . . 0.0 109.952 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.13 173.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.64 -44.36 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 7' ' ' VAL . 5.4 mtpt 63.76 -171.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.61 1.194 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -41.49 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 5' ' ' LYS . 42.7 t -135.38 159.67 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.429 HD13 ' CG2' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -120.21 140.7 43.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.184 . . . . 0.0 109.254 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -77.12 0.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.442 1.089 . . . . 0.0 109.214 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -138.24 124.81 20.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.247 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.468 ' CB ' HG13 ' A' ' 74' ' ' ILE . . . -162.84 89.15 0.64 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' OD1' ' OH ' ' A' ' 65' ' ' TYR . 68.8 m-20 -63.64 95.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.522 ' HE3' ' CG ' ' A' ' 72' ' ' HIS . 2.0 ttt -165.69 179.35 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 111.035 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.428 ' C ' ' N ' ' A' ' 16' ' ' GLU . 45.1 t -93.29 140.58 29.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.0 tt0 -45.42 -23.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.7 tm-20 -59.11 -59.85 4.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.412 ' SD ' ' OH ' ' A' ' 50' ' ' TYR . 5.2 mmt -80.19 -36.57 34.75 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -62.46 -47.9 82.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.237 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -71.27 -48.27 51.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 12.5 t70 -55.76 -44.68 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' HB1' ' CZ ' ' A' ' 46' ' ' PHE . . . -67.69 -73.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.203 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.572 ' CG2' ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -41.0 -30.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.384 1.053 . . . . 0.0 109.23 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 7.2 t70 -66.71 -57.99 6.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.613 1.196 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.2 m -53.9 -48.62 69.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 108.206 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 78' ' ' LEU . . . -58.41 -49.13 78.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -50.17 -59.94 3.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 110.354 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -59.78 -35.01 73.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.228 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.19 -58.82 5.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.475 ' CB ' HD12 ' A' ' 78' ' ' LEU . 6.9 tt -66.28 -31.93 73.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -70.13 -6.86 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.68 -39.74 2.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -100.2 -171.8 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -142.28 -44.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 37' ' ' ASP . 7.6 mt -67.33 86.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.464 ' HG2' ' CG2' ' A' ' 81' ' ' VAL . 2.6 mt-10 -34.42 -41.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -51.69 -53.95 33.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -67.31 -28.93 68.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.217 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 34' ' ' ILE . 13.0 mt -63.77 -47.13 92.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.31 90.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.3 -31.08 71.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.24 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -71.85 -38.72 70.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.903 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.9 mt -65.65 -54.1 31.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -54.49 -47.12 73.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.22 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 18.5 ttmm -63.8 -38.39 90.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -56.97 12.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.435 ' CZ ' ' HB1' ' A' ' 21' ' ' ALA . 2.1 m-30 -72.71 -44.45 61.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 52' ' ' PRO . 0.8 OUTLIER -50.28 -26.33 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.243 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -44.11 -86.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.227 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.24 70.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.412 ' OH ' ' SD ' ' A' ' 17' ' ' MET . 0.7 OUTLIER -137.15 -69.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.41 ' O ' ' HD3' ' A' ' 87' ' ' LYS . 5.0 t-20 -177.49 70.84 0.22 Allowed Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.431 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -75.0 159.56 41.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.431 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 8.5 t -98.75 152.8 19.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 110.438 0.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.442 ' CE3' HD21 ' A' ' 85' ' ' LEU . 40.8 m95 -104.22 169.5 8.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 93.2 m-70 -140.63 116.88 10.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.639 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 10.4 t -112.65 143.27 44.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 108.318 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.9 mm -130.23 151.67 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.23 -178.75 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.207 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.67 -119.64 2.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -155.63 22.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 0.762 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -132.34 169.21 16.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.402 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.422 ' O ' ' CG ' ' A' ' 62' ' ' PHE . 6.5 t80 -155.05 92.72 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -132.83 77.5 0.38 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.578 1.173 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 p -174.1 78.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 109.99 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.403 ' OH ' ' OD1' ' A' ' 12' ' ' ASP . 2.8 t80 -160.18 -45.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.4 1.062 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.78 57.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 m -150.15 -62.99 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -107.34 -31.76 8.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 109.617 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 62.11 150.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.9 p -134.48 -148.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.592 1.183 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -97.97 -62.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.522 ' CG ' ' HE3' ' A' ' 13' ' ' MET . 30.9 m-70 -140.19 117.62 11.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.65 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -128.18 166.97 17.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 111.042 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.595 HG12 ' CD1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -160.5 121.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.241 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -113.85 119.14 36.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 111.071 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.595 ' CD1' HG12 ' A' ' 74' ' ' ILE . 0.7 OUTLIER -152.21 -179.87 7.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 8.9 t80 -99.76 125.97 45.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.475 HD12 ' CB ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -107.87 112.79 25.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.466 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 66.24 -91.63 0.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.517 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -138.03 24.14 2.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 0.786 . . . . 0.0 110.327 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.6 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 33.0 m -141.17 178.09 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.04 157.38 15.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.4 HG21 ' CE1' ' A' ' 76' ' ' PHE . 2.5 tt -154.01 122.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.44 120.7 28.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.442 HD21 ' CE3' ' A' ' 54' ' ' TRP . 0.7 OUTLIER -118.16 151.07 38.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 55' ' ' HIS . 33.0 p90 -159.19 147.56 17.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.062 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.418 ' HE2' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -99.03 102.95 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.418 ' N ' ' HE2' ' A' ' 87' ' ' LYS . 43.1 t -107.89 -63.64 1.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.038 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.537 HD11 HG21 ' A' ' 22' ' ' VAL . 1.2 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HD2' ' CZ ' ' A' ' 75' ' ' TYR . 3.3 mttm -89.85 -84.06 0.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -111.75 141.88 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.208 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -144.68 -48.62 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 43.72 73.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttm -168.47 -177.17 3.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 16' ' ' GLU . 22.7 t -89.69 139.97 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.7 OUTLIER -48.76 -21.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 14' ' ' SER . 34.1 mm-40 -59.93 -64.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.516 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 7.4 mmt -79.67 -30.71 41.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 1.3 tm0? -66.77 -47.47 72.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.545 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -71.21 -46.55 60.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -61.28 -45.47 94.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -63.18 -61.48 2.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -53.22 -26.04 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -64.0 -63.24 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.629 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 22.9 m -59.33 -26.67 65.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 108.342 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.786 ' C ' HD21 ' A' ' 78' ' ' LEU . . . -65.68 -72.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.641 ' N ' HD11 ' A' ' 78' ' ' LEU . 11.0 t -50.11 -51.49 42.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.476 ' N ' HG23 ' A' ' 26' ' ' THR . 3.9 mm-40 -54.83 -47.38 74.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.629 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -51.61 -53.32 39.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.906 ' HA ' HD13 ' A' ' 38' ' ' ILE . 3.4 tt -65.64 -26.99 68.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.83 3.57 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.25 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -126.17 -41.76 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CB ' HG12 ' A' ' 38' ' ' ILE . 5.6 m-85 -102.28 162.59 12.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -116.44 -28.13 6.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' ASP . 4.5 mp -79.87 86.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.502 ' HG2' HG21 ' A' ' 81' ' ' VAL . 1.1 mt-10 -37.04 -52.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -45.41 15.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 34' ' ' ILE . 5.9 t70 -74.56 -27.56 60.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.906 HD13 ' HA ' ' A' ' 29' ' ' LEU . 19.6 mt -64.85 -56.45 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.847 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -64.02 -38.32 90.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.245 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.16 -30.27 70.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.476 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 2.9 t80 -75.94 -34.66 59.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.847 HD12 ' HA ' ' A' ' 39' ' ' ALA . 10.4 mt -67.8 -55.5 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -49.8 76.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HA ' ' OD1' ' A' ' 47' ' ' ASP . 8.0 ttpp -59.84 -42.32 93.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 6.3 tp10 -55.76 -48.46 75.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' LYS . 1.1 m-85 -75.26 -68.65 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.05 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -35.89 -33.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -34.99 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -133.12 66.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.433 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 1.2 t80 -141.79 -67.69 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.422 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 5.7 t30 -176.05 72.59 0.26 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.41 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.0 Cg_endo -75.01 158.79 41.96 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.519 1.8 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.571 HG23 ' NE2' ' A' ' 55' ' ' HIS . 5.0 t -99.78 151.47 21.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 0.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.532 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 41.3 m95 -102.11 149.55 24.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 13.2 m170 -125.82 117.02 22.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.477 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 19.6 p -117.55 152.43 35.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 108.287 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.8 mm -135.28 147.81 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.42 120.02 27.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.535 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.5 p90 -141.07 162.52 35.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.584 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -160.79 119.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.223 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.834 ' HB2' HD12 ' A' ' 84' ' ' LEU . 1.5 t80 -113.11 115.66 28.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.69 ' HE2' HD13 ' A' ' 78' ' ' LEU . 1.7 p90 -146.16 178.2 8.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 111.007 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 5.4 t80 -103.82 117.14 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.786 HD21 ' C ' ' A' ' 25' ' ' ALA . 5.1 tp -97.88 117.84 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.408 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 63.48 -83.87 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.579 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -148.14 28.54 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.33 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.594 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 20.0 m -140.48 169.65 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.35 150.84 21.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.6 tt -151.15 117.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.834 HD12 ' HB2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -119.9 103.4 9.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.481 HD21 ' CE3' ' A' ' 54' ' ' TRP . 5.9 tt -100.54 143.54 30.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.358 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 41.1 p90 -160.57 142.88 12.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.532 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 8.5 tptp -99.49 111.72 24.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.528 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 37.2 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.613 HD11 HG21 ' A' ' 22' ' ' VAL . 1.2 mp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.415 ' CE ' ' OH ' ' A' ' 75' ' ' TYR . 2.5 mtmm -111.0 -75.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -128.03 143.93 51.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.18 -58.72 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 t0 55.69 81.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 73' ' ' PHE . 3.1 ttm -170.29 -169.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 16' ' ' GLU . 5.3 t -94.58 127.64 40.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -40.71 -27.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.243 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -53.68 -67.12 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.302 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.406 ' SD ' ' SD ' ' A' ' 13' ' ' MET . 12.8 ptp -78.17 -40.13 38.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 1.4 tm0? -55.47 -47.46 76.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.536 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 1.1 tm0? -71.56 -48.02 51.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.389 1.056 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 44.0 t0 -51.37 -47.53 62.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.845 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . . . -67.87 -71.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.236 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.613 HG21 HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -37.21 -34.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.518 ' O ' HG22 ' A' ' 26' ' ' THR . 24.2 t0 -65.3 -59.46 4.02 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . 97.3 m -54.95 -31.35 60.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB1' ' CD2' ' A' ' 78' ' ' LEU . . . -65.75 -68.96 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.585 ' N ' HD11 ' A' ' 78' ' ' LEU . 8.1 t -48.7 -40.44 28.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -64.45 -38.89 92.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.52 ' C ' ' CD1' ' A' ' 38' ' ' ILE . . . -59.04 -51.96 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.497 HD22 HD12 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -65.58 -12.61 54.6 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -102.72 -1.65 29.6 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -120.4 -48.93 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.46 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 19.5 m-85 -96.96 166.57 11.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.593 1.183 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -125.74 10.28 7.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.604 HG22 ' H ' ' A' ' 37' ' ' ASP . 5.1 mp -119.57 108.91 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 3.6 mt-10 -50.25 -53.38 28.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -46.2 57.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.604 ' H ' HG22 ' A' ' 34' ' ' ILE . 1.6 t0 -70.96 -29.55 65.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.52 ' CD1' ' C ' ' A' ' 28' ' ' ALA . 1.6 mm -64.69 -56.56 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.18 76.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.4 73.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 30.0 t80 -75.37 -38.24 60.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.78 HG22 HD13 ' A' ' 85' ' ' LEU . 71.4 mt -66.57 -52.0 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 3.4 tmtt? -58.82 -49.11 78.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -60.99 -39.63 90.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.217 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -53.27 -55.74 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.845 ' CZ ' ' HB2' ' A' ' 21' ' ' ALA . 2.4 m-30 -74.26 -20.65 60.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 9.9 t0 -77.2 -18.63 57.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -52.41 -93.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.7 70.77 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' A' ' 46' ' ' PHE . 1.1 t80 -137.79 -66.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.828 HD21 HH21 ' A' ' 71' ' ' ARG . 16.4 t-20 -175.54 66.46 0.25 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.444 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.5 Cg_endo -75.01 160.72 39.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.444 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 1.4 t -96.84 152.43 18.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.364 1.04 . . . . 0.0 110.348 0.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.584 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 46.4 m95 -103.51 166.0 10.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 108.029 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 86.4 m-70 -141.34 118.38 11.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.625 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.407 ' HB2' HD12 ' A' ' 85' ' ' LEU . 7.8 t -108.72 146.13 33.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 108.374 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.623 HG22 HD21 ' A' ' 84' ' ' LEU . 12.9 mm -132.4 157.82 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.059 . . . . 0.0 109.365 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.828 HH21 HD21 ' A' ' 51' ' ' ASN . 12.5 mtp85 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.456 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 1.3 m-70 -127.0 136.43 52.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.592 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -145.49 167.02 24.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.601 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -160.59 121.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.479 ' CD2' ' O ' ' A' ' 75' ' ' TYR . 4.6 t80 -114.88 110.17 19.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.62 ' CE2' HD13 ' A' ' 78' ' ' LEU . 1.6 p90 -139.86 -179.63 6.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 12.9 t80 -101.86 122.22 43.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.631 HD22 HD13 ' A' ' 83' ' ' ILE . 3.2 tp -105.67 109.54 21.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.81 -97.34 0.41 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 111.07 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.403 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 1.2 pp0? -128.69 13.46 6.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.458 0.74 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.491 HG22 ' H ' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -129.54 -179.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.491 ' H ' HG22 ' A' ' 81' ' ' VAL . . . -106.45 162.29 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.631 HD13 HD22 ' A' ' 78' ' ' LEU . 1.1 tt -154.68 121.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.623 HD21 HG22 ' A' ' 57' ' ' ILE . 0.9 OUTLIER -123.58 101.52 7.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.533 1.145 . . . . 0.0 109.224 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.78 HD13 HG22 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -96.61 145.6 25.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 55' ' ' HIS . 25.8 p90 -160.02 149.13 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.584 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 16.0 tptm -110.38 119.43 39.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.387 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.864 HD11 HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.54 -70.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.06 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -127.54 154.01 45.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.95 -48.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 42.05 62.97 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.484 ' CG ' ' HB2' ' A' ' 18' ' ' GLN . 3.3 ptm -163.0 -173.89 3.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -89.85 146.92 24.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.595 1.184 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.3 tt0 -51.72 -20.37 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -61.83 -56.34 20.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -80.2 -35.48 36.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 111.073 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HB2' ' CG ' ' A' ' 13' ' ' MET . 16.5 tt0 -64.99 -46.53 81.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.528 ' O ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -71.35 -53.7 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 56.7 t0 -54.57 -49.69 69.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -57.52 -69.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.864 HG21 HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -43.03 -26.69 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 21' ' ' ALA . 1.4 t0 -65.75 -57.97 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' HG23 ' A' ' 42' ' ' ILE . 24.2 p -63.11 -33.12 74.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 108.277 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.859 ' O ' HD21 ' A' ' 78' ' ' LEU . . . -63.72 -72.14 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.394 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.788 ' N ' HD11 ' A' ' 78' ' ' LEU . 66.5 p -49.13 -50.52 37.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.625 1.203 . . . . 0.0 110.39 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -54.41 -47.91 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.389 1.056 . . . . 0.0 110.313 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -51.18 -53.03 38.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 78' ' ' LEU . 8.1 tt -66.37 -25.83 66.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.71 11.79 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.213 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.94 -44.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.457 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 36.4 m-85 -94.41 166.35 12.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.96 7.94 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 37' ' ' ASP . 63.4 mt -121.36 95.49 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.742 ' HG2' HG11 ' A' ' 81' ' ' VAL . 1.2 mp0 -36.82 -45.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.231 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -51.0 -50.55 58.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -70.81 -26.87 63.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 29' ' ' LEU . 4.7 mt -64.41 -65.19 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.801 ' HB1' ' SG ' ' A' ' 56' ' ' CYS . . . -58.66 -34.76 71.59 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 44' ' ' LYS . . . -65.86 -33.2 75.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 46.9 t80 -76.22 -34.72 59.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.977 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 39' ' ' ALA . 30.0 mt -66.81 -60.7 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -57.17 -51.26 70.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -57.74 -40.76 80.42 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 7.9 tp10 -58.06 -48.0 81.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.5 m-85 -75.33 -70.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.642 1.214 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.502 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.29 -41.12 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -32.92 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.537 1.148 . . . . 0.0 109.379 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 70.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.434 ' OH ' ' CG ' ' A' ' 17' ' ' MET . 1.0 OUTLIER -147.15 -69.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.9 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -176.41 74.17 0.26 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.04 160.07 40.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.492 ' O ' ' CD ' ' A' ' 87' ' ' LYS . 3.7 t -100.22 152.82 19.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.46 -0.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.438 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 41.7 m95 -104.27 159.26 15.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 107.949 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 83.9 m-70 -140.72 117.46 10.98 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.576 1.173 . . . . 0.0 109.565 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.801 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 28.0 p -122.65 157.29 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.5 mm -134.31 155.48 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.359 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 58' ' ' VAL . 7.9 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 1.8 m80 -132.19 117.65 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.584 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -138.94 158.63 43.85 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 111.079 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.579 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -160.81 118.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.887 ' HB2' HD12 ' A' ' 84' ' ' LEU . 1.2 t80 -112.32 115.32 28.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.557 1.16 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.707 ' HE2' HD13 ' A' ' 78' ' ' LEU . 1.7 p90 -144.39 -179.49 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.578 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 2.7 t80 -107.14 118.36 36.5 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.456 1.097 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.859 HD21 ' O ' ' A' ' 25' ' ' ALA . 5.8 tp -95.34 105.61 17.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.163 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.11 -80.36 0.14 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.578 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -149.02 24.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 0.789 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.742 HG11 ' HG2' ' A' ' 35' ' ' GLU . 12.0 t -135.42 149.49 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.24 142.48 30.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 2.0 tt -147.11 117.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.887 HD12 ' HB2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -123.04 109.63 14.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.749 HD12 ' HB3' ' A' ' 56' ' ' CYS . 1.3 tp -103.58 145.47 29.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 55' ' ' HIS . 48.6 p90 -160.87 143.0 12.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 53' ' ' THR . 12.2 tptp -108.1 102.02 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.408 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.402 ' HG ' ' HE1' ' A' ' 86' ' ' PHE . 89.8 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.967 HD11 HG21 ' A' ' 22' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.559 ' NZ ' ' CZ ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -94.32 -100.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.63 120.76 42.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.515 ' HB2' HG13 ' A' ' 74' ' ' ILE . . . -154.16 67.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.17 99.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 tpt -165.85 175.61 8.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 16' ' ' GLU . 14.1 t -89.85 145.88 24.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.1 tt0 -47.81 -22.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.361 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -59.19 -63.0 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.534 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 13.7 ttt -79.66 -32.6 41.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -65.02 -45.87 83.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -71.89 -52.82 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 33.5 t0 -55.6 -50.36 70.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -57.63 -70.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.967 HG21 HD11 ' A' ' 8' ' ' ILE . 1.1 p -42.51 -26.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.475 ' OD1' ' NE2' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -65.46 -57.94 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.819 ' SG ' HG23 ' A' ' 42' ' ' ILE . 30.6 p -63.48 -38.1 89.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.779 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -60.98 -72.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.62 ' HA ' HD22 ' A' ' 78' ' ' LEU . 96.7 m -48.0 -49.99 29.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -53.8 -43.97 69.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.956 ' HB1' HG23 ' A' ' 38' ' ' ILE . . . -55.84 -54.22 47.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.874 HD13 ' HB3' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -66.11 -14.22 61.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.74 4.03 47.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -130.23 -53.51 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -95.79 159.77 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.98 -27.77 7.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.601 1.188 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' ASP . 4.7 mt -81.25 84.38 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.925 ' OE2' HG11 ' A' ' 58' ' ' VAL . 11.7 tm-20 -35.21 -43.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.588 1.18 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -46.4 -51.76 14.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 4.5 t70 -71.45 -25.02 62.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.956 HG23 ' HB1' ' A' ' 28' ' ' ALA . 9.5 mt -67.74 -68.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.961 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -54.52 -38.91 67.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.86 -31.94 72.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.485 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 1.2 t80 -76.54 -33.9 58.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.961 HD12 ' HA ' ' A' ' 39' ' ' ALA . 10.4 mt -66.32 -52.46 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.422 ' CG ' ' HB2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -60.92 -48.16 83.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -59.65 -42.27 92.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.94 -46.49 84.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -74.02 -69.28 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.8 -37.64 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -31.87 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -129.62 69.05 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -142.93 -69.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -176.4 73.46 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.79 40.89 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.555 1.819 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.3 t -99.97 154.08 18.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.433 0.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 40.1 m95 -105.46 166.79 10.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 67.0 m-70 -141.34 113.98 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.67 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.691 ' HB2' HD12 ' A' ' 85' ' ' LEU . 10.7 t -110.16 145.91 36.42 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.635 1.209 . . . . 0.0 108.379 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.1 mt -134.73 157.14 40.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.925 HG11 ' OE2' ' A' ' 35' ' ' GLU . 2.6 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -119.77 110.79 17.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.6 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.635 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -134.35 162.72 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.388 1.055 . . . . 0.0 111.083 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.575 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -160.11 122.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.559 ' CZ ' ' NZ ' ' A' ' 9' ' ' LYS . 27.6 t80 -112.72 121.06 43.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.598 ' HE2' ' HB1' ' A' ' 25' ' ' ALA . 1.4 p90 -150.82 -179.61 7.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 3.4 t80 -115.75 112.94 22.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.874 ' HB3' HD13 ' A' ' 29' ' ' LEU . 20.2 mt -87.52 118.39 26.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.479 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 59.11 -83.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.436 1.085 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.432 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -147.74 35.81 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.6 t -144.66 157.12 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.395 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.35 150.08 22.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.234 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.608 HD13 HD12 ' A' ' 78' ' ' LEU . 6.0 tt -151.62 121.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.47 111.13 15.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.691 HD12 ' HB2' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -109.23 143.16 39.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 45.4 p90 -159.43 145.13 16.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.568 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -101.34 116.98 34.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.975 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.014 HD11 HG21 ' A' ' 22' ' ' VAL . 1.6 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.13 -78.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -108.32 143.77 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.35 -46.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.0 t70 46.38 66.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.07 -174.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.0 t -89.75 139.89 30.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 110.043 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 1.3 tt0 -50.06 -20.86 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.357 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -61.33 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.35 -33.96 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.4 -46.53 82.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -71.39 -46.85 59.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.369 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 13.1 t70 -58.35 -45.89 87.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.212 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -65.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.014 HG21 HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -48.21 -25.32 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -66.45 -64.79 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.7 m -54.65 -36.17 64.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.326 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.634 ' C ' HD21 ' A' ' 78' ' ' LEU . . . -61.1 -68.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.592 ' CA ' HD11 ' A' ' 78' ' ' LEU . 24.0 m -47.42 -51.61 19.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.609 1.193 . . . . 0.0 110.352 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -54.31 -38.48 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 25' ' ' ALA . . . -57.79 -56.25 24.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.065 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -66.43 -13.9 61.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.45 1.05 51.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -128.7 -46.74 1.28 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.469 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 29.7 m-85 -99.68 158.39 15.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -117.97 -6.26 10.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 mp -102.8 111.0 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.891 ' CD ' HG11 ' A' ' 58' ' ' VAL . 2.0 tm-20 -50.5 -53.23 31.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.173 . . . . 0.0 110.261 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 55.2 mttt -43.62 -50.74 7.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.338 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.6 -31.63 70.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 1.6 mm -64.71 -69.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.748 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -54.1 -31.96 53.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 36' ' ' LYS . . . -67.33 -34.48 77.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 69.4 t80 -72.46 -39.53 67.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.5 mt -67.23 -59.05 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -50.7 -51.0 53.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -62.8 -34.27 76.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -53.88 -64.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.793 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 2.6 m-85 -73.74 -49.62 24.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 4.3 t70 -39.48 -39.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.35 -69.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -146.63 71.6 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.793 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 9.2 t80 -153.4 34.59 0.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.8 70.18 0.3 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.23 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.482 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -74.95 163.06 36.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.482 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 1.1 t -102.61 159.93 15.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.457 1.098 . . . . 0.0 110.416 -0.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.653 ' CZ2' ' CD2' ' A' ' 50' ' ' TYR . 39.8 m95 -107.64 168.89 8.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.635 1.209 . . . . 0.0 107.967 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 39.9 m-70 -140.57 126.94 19.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.632 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.748 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 1.4 t -114.54 138.97 49.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 1.077 . . . . 0.0 108.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.7 mm -124.84 151.46 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.891 HG11 ' CD ' ' A' ' 35' ' ' GLU . 5.6 p . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.38 1.05 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -130.43 154.06 48.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 109.633 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.481 ' HB3' ' CB ' ' A' ' 86' ' ' PHE . 8.7 p90 -169.37 171.69 7.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 76' ' ' PHE . 1.4 tt -160.43 119.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -113.08 113.13 25.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 1.5 p90 -138.67 178.48 7.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -106.18 121.96 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.656 HD13 ' CE2' ' A' ' 76' ' ' PHE . 3.6 tp -104.6 102.46 12.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.358 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.58 -100.42 0.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.48 -10.25 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.736 . . . . 0.0 110.311 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.72 147.67 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.73 168.69 14.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.698 ' CG2' ' CZ ' ' A' ' 76' ' ' PHE . 1.6 tt -161.4 128.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -135.31 118.13 16.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.506 HD12 ' C ' ' A' ' 55' ' ' HIS . 8.1 tp -110.06 148.53 31.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 6.2 p90 -159.05 157.38 31.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.513 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 6.8 tptt -117.46 102.11 8.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.649 1.218 . . . . 0.0 110.022 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.076 HD11 HG21 ' A' ' 22' ' ' VAL . 1.7 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HE3' ' CZ ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.91 -69.62 0.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -136.0 108.63 7.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB2' HG13 ' A' ' 74' ' ' ILE . . . -156.76 57.89 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 13' ' ' MET . 1.4 m-20 -49.89 -88.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.41 ' O ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER 36.84 -156.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 16' ' ' GLU . 11.9 t -109.01 131.94 54.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.108 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 1.5 tt0 -45.02 -24.03 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -56.4 -65.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.222 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 18' ' ' GLN . 5.2 ppp? -78.5 -36.53 44.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.454 ' N ' ' SD ' ' A' ' 17' ' ' MET . 2.5 tt0 -60.25 -48.01 83.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.356 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -70.68 -54.05 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 14.1 t70 -50.33 -45.36 54.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.068 . . . . 0.0 109.205 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . . . -66.52 -73.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.076 HG21 HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -36.82 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.384 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' ALA . 34.8 t70 -64.65 -61.89 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.386 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 76.7 m -57.36 -29.98 64.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 108.33 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.713 ' C ' HD21 ' A' ' 78' ' ' LEU . . . -66.42 -74.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.767 ' CA ' HD11 ' A' ' 78' ' ' LEU . 6.4 t -47.29 -46.26 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 26' ' ' THR . 11.1 mm-40 -59.07 -44.28 91.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.398 1.061 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -54.67 -51.57 65.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.807 ' HA ' HD13 ' A' ' 38' ' ' ILE . 3.3 tt -65.85 -26.89 67.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.23 3.5 39.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -125.74 -42.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -107.83 161.05 15.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -115.03 -25.06 8.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' ASP . 3.3 mp -84.36 85.53 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.907 ' HG3' HG11 ' A' ' 58' ' ' VAL . 3.5 tm-20 -34.69 -45.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -45.16 -51.47 10.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.597 1.185 . . . . 0.0 109.262 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -71.9 -27.92 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.807 HD13 ' HA ' ' A' ' 29' ' ' LEU . 10.0 mt -64.99 -68.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.602 ' HB1' ' SG ' ' A' ' 56' ' ' CYS . . . -57.35 -32.64 66.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 36' ' ' LYS . . . -66.23 -33.72 76.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.504 ' CE2' ' HG3' ' A' ' 45' ' ' GLU . 39.5 t80 -74.89 -36.58 62.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 39.0 mt -68.04 -55.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -51.03 70.58 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 18.0 ttpp -63.64 -35.02 79.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.504 ' HG3' ' CE2' ' A' ' 41' ' ' TYR . 2.9 mm-40 -53.55 -58.67 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.215 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' A' ' 50' ' ' TYR . 2.9 m-85 -73.51 -43.73 59.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.634 1.209 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 52' ' ' PRO . 8.1 t0 -48.24 -31.2 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 2.9 mmmt -50.3 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -141.3 71.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.505 ' CE2' ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -155.97 44.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 111.016 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 64.08 68.48 0.83 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.518 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.99 164.24 33.77 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.475 1.776 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.521 ' O ' ' CE ' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -102.22 162.65 12.75 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 110.437 0.071 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 87' ' ' LYS . 21.1 m95 -112.97 159.69 18.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 108.035 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 53.0 m-70 -140.4 123.44 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.584 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.926 ' C ' HD12 ' A' ' 57' ' ' ILE . 15.2 p -119.59 143.56 47.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.926 HD12 ' C ' ' A' ' 56' ' ' CYS . 1.9 mp -124.68 152.37 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.907 HG11 ' HG3' ' A' ' 35' ' ' GLU . 60.2 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.374 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 2.3 m-70 -130.69 127.87 39.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.642 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.45 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 5.1 p90 -152.25 166.32 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.589 HG13 ' HB2' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -160.92 117.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.435 ' CZ ' ' HE3' ' A' ' 9' ' ' LYS . 4.3 t80 -112.6 115.22 28.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.633 ' HE2' HD13 ' A' ' 78' ' ' LEU . 1.9 p90 -146.32 179.44 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.531 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 4.3 t80 -106.42 120.59 42.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.767 HD11 ' CA ' ' A' ' 26' ' ' THR . 5.0 tp -96.61 111.14 23.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.86 -81.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.568 1.167 . . . . 0.0 111.065 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.531 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -147.97 34.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.243 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 78' ' ' LEU . 4.4 p -145.07 154.12 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' ' 58' ' ' VAL . . . -87.89 141.2 28.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.805 HG13 HG22 ' A' ' 58' ' ' VAL . 2.3 tt -147.53 119.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 0.7 OUTLIER -128.34 114.4 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' A' ' 56' ' ' CYS . 0.4 OUTLIER -109.44 142.5 40.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.492 ' HE2' HD13 ' A' ' 57' ' ' ILE . 46.3 p90 -154.64 160.17 41.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.576 ' HZ3' ' C ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -114.86 100.86 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.516 ' C ' ' HZ1' ' A' ' 87' ' ' LYS . 14.9 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 110.04 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.855 HD11 HG21 ' A' ' 22' ' ' VAL . 1.2 mp . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.2 -66.24 0.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -147.61 111.01 4.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' MET . . . -139.78 66.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.1 91.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -167.3 -177.75 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -89.84 146.56 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.1 OUTLIER -50.4 -20.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -60.52 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 110.264 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 1.3 mpp? -80.58 -33.77 35.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 16.1 tt0 -65.12 -45.78 83.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.563 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -72.26 -52.34 16.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 24.8 t0 -55.61 -51.04 68.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -56.07 -66.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.378 1.049 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.855 HG21 HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -48.95 -23.22 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 20' ' ' ASP . 1.2 t0 -65.89 -60.42 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.1 m -63.33 -29.82 71.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 108.348 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.707 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -64.93 -70.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.441 ' HA ' HD22 ' A' ' 78' ' ' LEU . 14.8 t -48.38 -46.28 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -59.25 -43.62 92.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.528 ' HB2' ' CE2' ' A' ' 41' ' ' TYR . . . -53.91 -52.26 61.13 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.444 1.09 . . . . 0.0 109.355 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -24.72 66.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -87.85 9.4 22.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -134.3 -44.62 0.77 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.072 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -95.62 -170.46 2.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -144.29 -45.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 37' ' ' ASP . 2.3 mp -67.56 84.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.227 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.68 ' HA ' HD12 ' A' ' 38' ' ' ILE . 3.4 mt-10 -32.55 -42.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.377 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -51.3 -53.32 37.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 34' ' ' ILE . 12.0 t0 -69.69 -25.83 64.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 35' ' ' GLU . 24.2 mt -64.74 -50.29 76.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.569 1.168 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.445 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . . . -66.0 -39.64 90.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.66 -30.47 70.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 28' ' ' ALA . 24.8 t80 -72.06 -39.44 69.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.524 HG22 HD13 ' A' ' 85' ' ' LEU . 32.4 mt -66.82 -61.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -50.27 -51.89 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.371 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' HA ' ' OD2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -61.02 -37.32 82.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -54.94 -51.43 66.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 110.302 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.595 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -75.52 -64.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.108 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -38.01 -33.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.355 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 2.2 tppp? -36.17 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -138.89 65.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.595 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 2.4 t80 -138.83 -68.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -175.54 73.2 0.28 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.437 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.15 160.46 39.63 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.69 HG23 ' NE2' ' A' ' 55' ' ' HIS . 4.9 t -99.49 156.79 16.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 0.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CE3' HD21 ' A' ' 85' ' ' LEU . 44.9 m95 -108.94 157.98 18.13 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.69 ' NE2' HG23 ' A' ' 53' ' ' THR . 17.6 m-70 -140.8 110.85 6.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.626 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 84' ' ' LEU . 4.2 t -119.65 155.0 33.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 108.185 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.603 ' H ' HD13 ' A' ' 84' ' ' LEU . 26.8 mm -135.34 164.9 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.483 ' N ' HG22 ' A' ' 57' ' ' ILE . 96.4 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -128.44 119.93 25.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 0.0 109.609 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 2.1 p90 -139.99 160.39 40.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.622 1.201 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.513 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -161.26 119.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.416 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -115.07 114.95 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.577 ' HE2' ' HB1' ' A' ' 25' ' ' ALA . 1.5 p90 -140.45 -179.68 6.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.097 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 3.7 t80 -111.31 112.53 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.099 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.778 HD12 HD13 ' A' ' 83' ' ' ILE . 18.1 mt -90.27 117.65 29.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 64.33 -84.86 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.505 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 11.1 pt20 -147.42 28.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.242 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.657 HG11 ' HG2' ' A' ' 35' ' ' GLU . 7.2 p -139.83 162.34 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.6 152.48 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.778 HD13 HD12 ' A' ' 78' ' ' LEU . 8.0 tt -152.51 121.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.308 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.978 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -117.41 122.76 44.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.718 ' N ' HD22 ' A' ' 84' ' ' LEU . 8.5 tt -122.4 128.91 51.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.361 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.744 ' HD2' HD21 ' A' ' 84' ' ' LEU . 5.6 p90 -145.85 147.96 32.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.462 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -104.08 121.54 43.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.935 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.663 HD11 HG21 ' A' ' 22' ' ' VAL . 1.8 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -89.83 -61.12 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -147.02 134.58 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.52 ' CB ' ' NE2' ' A' ' 18' ' ' GLN . . . -153.08 -47.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 13' ' ' MET . 0.4 OUTLIER 64.36 -162.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 109.253 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.538 ' CE ' ' CE1' ' A' ' 72' ' ' HIS . 1.4 ttt 76.96 -171.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.43 ' CB ' ' HG2' ' A' ' 16' ' ' GLU . 7.1 t -89.5 142.3 27.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 110.024 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -47.36 -23.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.398 1.061 . . . . 0.0 110.381 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HG2' ' CB ' ' A' ' 14' ' ' SER . 9.2 pt-20 -59.7 -52.64 64.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.414 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -79.48 -41.16 28.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 111.054 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.52 ' NE2' ' CB ' ' A' ' 11' ' ' ALA . 2.5 tp60 -61.12 -43.74 98.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -70.57 -56.58 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.222 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 38.5 t0 -50.66 -44.32 57.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' C ' ' N ' ' A' ' 23' ' ' ASP . . . -65.42 -70.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.663 HG21 HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -41.16 -29.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 8.0 t70 -65.12 -62.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 96.9 m -56.68 -29.86 62.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 108.249 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.96 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -65.84 -73.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.553 ' HA ' HD22 ' A' ' 78' ' ' LEU . 16.3 m -48.73 -50.32 34.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -54.18 -49.16 69.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -50.95 -52.6 40.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.367 1.042 . . . . 0.0 109.228 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -65.84 -22.08 66.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.24 9.36 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -132.38 -45.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.653 1.221 . . . . 0.0 109.236 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.422 ' CB ' HG12 ' A' ' 38' ' ' ILE . 43.6 m-85 -96.5 176.85 5.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -130.66 -43.61 1.11 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.43 1.081 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' A' ' 37' ' ' ASP . 2.9 mt -67.62 83.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.631 ' HA ' HD12 ' A' ' 38' ' ' ILE . 7.7 mp0 -33.79 -43.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 110.261 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.39 -51.04 49.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 34' ' ' ILE . 6.7 t70 -71.72 -24.46 61.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 35' ' ' GLU . 20.6 mt -66.02 -51.95 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.716 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -65.48 -42.34 92.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.28 -28.76 68.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.489 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 1.5 t80 -74.32 -37.24 63.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 39' ' ' ALA . 9.9 mt -66.89 -52.79 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -60.35 -49.66 76.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' HA ' ' OD1' ' A' ' 47' ' ' ASP . 15.7 ttpt -59.09 -41.26 87.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 45' ' ' GLU . 10.2 tm-20 -54.74 -52.64 61.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.19 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -73.44 -65.92 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.75 -32.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.07 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.512 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -36.09 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -132.92 66.57 1.56 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.399 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -138.99 -68.72 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 0.0 111.081 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.431 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 1.6 m120 -176.03 73.17 0.26 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.402 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.7 Cg_endo -74.92 160.3 40.56 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.57 1.826 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.402 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 3.4 t -99.61 158.23 15.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -0.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.574 ' CZ3' ' HB2' ' A' ' 87' ' ' LYS . 44.7 m95 -111.52 171.98 7.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.009 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 27.5 m80 -140.58 112.65 7.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.463 1.102 . . . . 0.0 109.638 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.82 ' SG ' HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -102.82 133.91 47.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 1.154 . . . . 0.0 108.255 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 58' ' ' VAL . 36.3 mm -135.33 164.19 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.461 ' N ' HG22 ' A' ' 57' ' ' ILE . 2.1 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.538 ' CE1' ' CE ' ' A' ' 13' ' ' MET . 0.4 OUTLIER -123.78 111.99 16.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.559 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 12.3 p90 -124.25 161.37 25.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.415 1.072 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.575 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -159.66 105.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 1.011 ' CE2' HD22 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -107.33 104.25 13.81 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.575 ' CD1' HG12 ' A' ' 74' ' ' ILE . 2.0 p90 -133.08 -179.37 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 111.054 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 5.7 t80 -105.56 132.96 51.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.96 HD11 ' HB1' ' A' ' 25' ' ' ALA . 19.1 mt -115.58 107.68 15.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.13 -92.33 0.3 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -135.34 19.59 3.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 110.315 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.601 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 14.5 m -133.48 170.27 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.58 163.03 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.528 HG23 ' CE1' ' A' ' 76' ' ' PHE . 1.5 tp -154.9 126.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.011 HD22 ' CE2' ' A' ' 75' ' ' TYR . 27.8 tp -128.12 109.07 11.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.184 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.82 HD12 ' SG ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -111.13 122.14 47.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.355 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 6.6 p90 -142.17 140.45 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -93.01 108.81 20.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.907 HD11 HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -90.25 -90.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.602 1.189 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -112.47 108.32 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.025 ' CB ' HD13 ' A' ' 74' ' ' ILE . . . -132.12 -55.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.488 ' O ' ' C ' ' A' ' 13' ' ' MET . 1.0 OUTLIER 54.46 -96.01 0.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.561 ' HG2' ' CE1' ' A' ' 72' ' ' HIS . 2.5 tpt 30.52 -146.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.461 ' C ' ' N ' ' A' ' 16' ' ' GLU . 7.2 t -119.54 137.13 54.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 8.8 tt0 -41.24 -25.94 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.479 1.112 . . . . 0.0 110.198 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 14' ' ' SER . 2.3 mt-10 -60.68 -54.99 38.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.509 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.6 mpt? -81.57 -35.15 30.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' O ' HG12 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -66.3 -46.61 76.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.363 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -70.88 -47.1 61.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 9.3 t0 -61.75 -44.76 96.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -64.95 -64.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.907 HG21 HD11 ' A' ' 8' ' ' ILE . 3.1 p -51.24 -24.62 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -65.98 -65.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 m -58.57 -30.12 66.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 108.308 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.831 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -65.15 -73.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.551 ' HA ' HD22 ' A' ' 78' ' ' LEU . 1.1 m -47.65 -42.19 23.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 110.493 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.7 -41.72 99.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.491 ' C ' ' CD1' ' A' ' 38' ' ' ILE . . . -54.5 -50.9 66.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 78' ' ' LEU . 5.4 tt -65.45 -18.21 65.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.53 8.26 44.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -130.12 -46.39 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.469 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 26.2 m-85 -106.05 160.4 15.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -114.78 -12.07 12.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.96 105.61 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.788 ' HG3' HG21 ' A' ' 81' ' ' VAL . 3.3 mm-40 -51.01 -47.11 61.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -50.72 -45.5 58.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 5.1 t0 -74.98 -24.32 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.491 ' CD1' ' C ' ' A' ' 28' ' ' ALA . 1.6 mm -68.11 -63.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.972 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -60.89 -38.03 84.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 36' ' ' LYS . . . -66.76 -31.1 71.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 11.5 t80 -75.83 -36.75 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.972 HD12 ' HA ' ' A' ' 39' ' ' ALA . 6.9 mt -65.3 -51.26 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -60.65 -47.77 84.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -59.35 -42.07 90.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' C ' ' CD ' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -56.43 -48.12 77.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.472 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.8 m-85 -74.26 -70.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.071 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.477 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -34.63 -38.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -33.08 -79.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -134.56 66.7 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -139.78 -69.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.404 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 18.2 t-20 -176.86 73.67 0.24 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.152 . . . . 0.0 109.236 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.442 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -74.97 160.44 40.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.468 1.773 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.455 ' O ' ' CD ' ' A' ' 87' ' ' LYS . 9.7 t -99.56 155.45 17.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 -0.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.507 ' CZ3' ' HB3' ' A' ' 72' ' ' HIS . 45.8 m95 -107.92 168.81 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 107.998 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 38.6 m-70 -140.5 116.73 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.68 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.963 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 t -113.42 137.35 51.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.963 HD12 ' C ' ' A' ' 56' ' ' CYS . 2.1 mp -130.3 150.73 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 82' ' ' ALA . 21.4 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 13' ' ' MET . 3.8 t-80 -114.85 112.71 23.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.63 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -140.69 150.56 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.961 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 1.025 HD13 ' CB ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -161.85 115.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.822 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.2 t80 -111.28 120.72 43.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 1.4 p90 -142.53 -179.61 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.587 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 4.5 t80 -110.9 117.06 32.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.831 HD11 ' HB1' ' A' ' 25' ' ' ALA . 15.1 mt -92.8 116.48 29.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.386 1.053 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.41 -81.37 0.01 OUTLIER Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.432 1.082 . . . . 0.0 111.003 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.587 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 4.6 mt-30 -149.43 36.89 0.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.788 HG21 ' HG3' ' A' ' 35' ' ' GLU . 7.1 p -145.15 160.04 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.62 1.2 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.588 ' O ' HG13 ' A' ' 58' ' ' VAL . . . -93.67 144.85 25.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.618 HD13 HD12 ' A' ' 78' ' ' LEU . 5.6 tt -149.53 117.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.22 118.26 30.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.39 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 56' ' ' CYS . 1.1 tp -114.81 134.26 55.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.172 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 45.4 p90 -153.82 148.61 26.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 53' ' ' THR . 3.4 tptt -112.97 112.1 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.986 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.881 HD11 HG21 ' A' ' 22' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -77.12 0.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.442 1.089 . . . . 0.0 109.214 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -138.24 124.81 20.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.247 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.468 ' CB ' HG13 ' A' ' 74' ' ' ILE . . . -162.84 89.15 0.64 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -63.64 95.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.421 ' HE1' ' CB ' ' A' ' 17' ' ' MET . 2.0 ttt -165.69 179.35 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 111.035 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.428 ' C ' ' N ' ' A' ' 16' ' ' GLU . 45.1 t -93.29 140.58 29.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.0 tt0 -45.42 -23.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.7 tm-20 -59.11 -59.85 4.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.421 ' CB ' ' HE1' ' A' ' 13' ' ' MET . 5.2 mmt -80.19 -36.57 34.75 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -62.46 -47.9 82.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.237 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -71.27 -48.27 51.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 12.5 t70 -55.76 -44.68 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 23' ' ' ASP . . . -67.69 -73.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.203 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.961 HG23 ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -41.0 -30.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.384 1.053 . . . . 0.0 109.23 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 7.2 t70 -66.71 -57.99 6.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.613 1.196 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.2 m -53.9 -48.62 69.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 108.206 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.999 ' O ' HD11 ' A' ' 78' ' ' LEU . . . -58.41 -49.13 78.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -50.17 -59.94 3.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 110.354 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -59.78 -35.01 73.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.228 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 25' ' ' ALA . . . -51.19 -58.82 5.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.657 ' HB2' HD12 ' A' ' 78' ' ' LEU . 6.9 tt -66.28 -31.93 73.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -70.13 -6.86 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.68 -39.74 2.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -100.2 -171.8 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -142.28 -44.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 37' ' ' ASP . 7.6 mt -67.33 86.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.926 ' HG2' HG21 ' A' ' 81' ' ' VAL . 2.6 mt-10 -34.42 -41.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -51.69 -53.95 33.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -67.31 -28.93 68.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.217 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 29' ' ' LEU . 13.0 mt -63.77 -47.13 92.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -65.94 -39.31 90.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.3 -31.08 71.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.24 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -71.85 -38.72 70.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.903 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 39' ' ' ALA . 24.9 mt -65.65 -54.1 31.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -54.49 -47.12 73.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.22 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 18.5 ttmm -63.8 -38.39 90.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -56.97 12.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -72.71 -44.45 61.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 52' ' ' PRO . 0.8 OUTLIER -50.28 -26.33 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.243 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -44.11 -86.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.227 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.24 70.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -137.15 -69.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.41 ' O ' ' HD3' ' A' ' 87' ' ' LYS . 5.0 t-20 -177.49 70.84 0.22 Allowed Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HG3' ' O ' ' A' ' 47' ' ' ASP . 18.4 Cg_endo -75.0 159.56 41.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.4 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 8.5 t -98.75 152.8 19.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 110.438 0.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.515 ' CE3' HD21 ' A' ' 85' ' ' LEU . 40.8 m95 -104.22 169.5 8.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 93.2 m-70 -140.63 116.88 10.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.639 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.758 ' HB2' HD12 ' A' ' 85' ' ' LEU . 10.4 t -112.65 143.27 44.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 108.318 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.9 mm -130.23 151.67 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 35' ' ' GLU . 3.7 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.207 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 30.9 m-70 -140.19 117.62 11.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.65 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -128.18 166.97 17.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 111.042 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.597 HG12 ' CD1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -160.5 121.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.241 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -113.85 119.14 36.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 111.071 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.961 ' CD2' HG23 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -152.21 -179.87 7.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 8.9 t80 -99.76 125.97 45.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.999 HD11 ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -107.87 112.79 25.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.465 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 66.24 -91.63 0.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.519 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -138.03 24.14 2.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 0.786 . . . . 0.0 110.327 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.926 HG21 ' HG2' ' A' ' 35' ' ' GLU . 33.0 m -141.17 178.09 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -97.04 157.38 15.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.409 HG23 ' CE1' ' A' ' 76' ' ' PHE . 2.5 tt -154.01 122.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.44 120.7 28.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.758 HD12 ' HB2' ' A' ' 56' ' ' CYS . 0.7 OUTLIER -118.16 151.07 38.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 55' ' ' HIS . 33.0 p90 -159.19 147.56 17.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.062 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.418 ' HE2' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -99.03 102.95 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.418 ' N ' ' HE2' ' A' ' 87' ' ' LYS . 43.1 t . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.406 0.146 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -95.06 82.43 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 110.009 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.51 -167.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -143.46 -86.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.13 -154.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.66 116.38 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.528 ' C ' HD12 ' A' ' 8' ' ' ILE . 61.1 t -74.74 165.49 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.537 HD11 HG21 ' A' ' 22' ' ' VAL . 1.2 mp -137.98 126.06 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HD2' ' CZ ' ' A' ' 75' ' ' TYR . 3.3 mttm -89.85 -84.06 0.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -111.75 141.88 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.208 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -144.68 -48.62 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 43.72 73.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttm -168.47 -177.17 3.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 16' ' ' GLU . 22.7 t -89.69 139.97 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.7 OUTLIER -48.76 -21.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 14' ' ' SER . 34.1 mm-40 -59.93 -64.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.516 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 7.4 mmt -79.67 -30.71 41.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 1.3 tm0? -66.77 -47.47 72.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.545 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -71.21 -46.55 60.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -61.28 -45.47 94.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -63.18 -61.48 2.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -53.22 -26.04 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -64.0 -63.24 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.629 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 22.9 m -59.33 -26.67 65.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 108.342 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.786 ' C ' HD21 ' A' ' 78' ' ' LEU . . . -65.68 -72.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.641 ' N ' HD11 ' A' ' 78' ' ' LEU . 11.0 t -50.11 -51.49 42.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.476 ' N ' HG23 ' A' ' 26' ' ' THR . 3.9 mm-40 -54.83 -47.38 74.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.629 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -51.61 -53.32 39.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.906 ' HA ' HD13 ' A' ' 38' ' ' ILE . 3.4 tt -65.64 -26.99 68.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.83 3.57 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.25 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -126.17 -41.76 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CB ' HG12 ' A' ' 38' ' ' ILE . 5.6 m-85 -102.28 162.59 12.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -116.44 -28.13 6.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' ASP . 4.5 mp -79.87 86.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.502 ' HG2' HG21 ' A' ' 81' ' ' VAL . 1.1 mt-10 -37.04 -52.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -45.41 15.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 34' ' ' ILE . 5.9 t70 -74.56 -27.56 60.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.906 HD13 ' HA ' ' A' ' 29' ' ' LEU . 19.6 mt -64.85 -56.45 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.847 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -64.02 -38.32 90.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.245 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.16 -30.27 70.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.476 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 2.9 t80 -75.94 -34.66 59.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.847 HD12 ' HA ' ' A' ' 39' ' ' ALA . 10.4 mt -67.8 -55.5 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -49.8 76.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HA ' ' OD1' ' A' ' 47' ' ' ASP . 8.0 ttpp -59.84 -42.32 93.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 6.3 tp10 -55.76 -48.46 75.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' LYS . 1.1 m-85 -75.26 -68.65 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.05 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -35.89 -33.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -34.99 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -133.12 66.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.433 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 1.2 t80 -141.79 -67.69 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 5.7 t30 -176.05 72.59 0.26 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.41 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.0 Cg_endo -75.01 158.79 41.96 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.519 1.8 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.571 HG23 ' NE2' ' A' ' 55' ' ' HIS . 5.0 t -99.78 151.47 21.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 0.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.532 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 41.3 m95 -102.11 149.55 24.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 13.2 m170 -125.82 117.02 22.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.477 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 19.6 p -117.55 152.43 35.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 108.287 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.8 mm -135.28 147.81 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -132.57 94.91 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.94 -96.79 1.05 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.397 1.061 . . . . 0.0 110.95 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.09 -42.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 110.326 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -147.64 147.42 29.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.648 ' HB2' HD13 ' A' ' 84' ' ' LEU . 1.8 m-85 -137.8 99.26 3.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -119.29 97.37 0.68 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -141.16 -80.32 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.556 0.798 . . . . 0.0 109.983 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.579 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 3.2 t80 57.81 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 66' ' ' VAL . 10.0 p -79.56 54.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -155.44 -65.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.47 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' GLU . 6.7 m-70 -113.41 43.39 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -35.96 152.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.456 HG21 ' CD2' ' A' ' 86' ' ' PHE . 10.4 p -138.69 -145.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -64.21 1.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.42 120.02 27.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.535 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.5 p90 -141.07 162.52 35.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.584 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -160.79 119.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.223 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.834 ' HB2' HD12 ' A' ' 84' ' ' LEU . 1.5 t80 -113.11 115.66 28.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.69 ' HE2' HD13 ' A' ' 78' ' ' LEU . 1.7 p90 -146.16 178.2 8.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 111.007 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 5.4 t80 -103.82 117.14 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.786 HD21 ' C ' ' A' ' 25' ' ' ALA . 5.1 tp -97.88 117.84 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.408 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 63.48 -83.87 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.579 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -148.14 28.54 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.33 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.594 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 20.0 m -140.48 169.65 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.35 150.84 21.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.6 tt -151.15 117.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.834 HD12 ' HB2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -119.9 103.4 9.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.481 HD21 ' CE3' ' A' ' 54' ' ' TRP . 5.9 tt -100.54 143.54 30.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.358 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 41.1 p90 -160.57 142.88 12.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.532 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 8.5 tptp -99.49 111.72 24.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.528 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 37.2 t -130.53 127.2 38.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.578 1.174 . . . . 0.0 110.979 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.529 0.204 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.94 133.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -159.49 0.05 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.557 1.161 . . . . 0.0 109.235 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -143.23 -70.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.371 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.54 -166.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.484 ' HB2' ' OG1' ' A' ' 26' ' ' THR . . . -64.76 89.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.819 HG23 ' HB3' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -40.15 159.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.613 HD11 HG21 ' A' ' 22' ' ' VAL . 1.2 mp -136.2 149.77 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' CE ' ' OH ' ' A' ' 75' ' ' TYR . 2.5 mtmm -111.0 -75.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -128.03 143.93 51.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.18 -58.72 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 t0 55.69 81.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 73' ' ' PHE . 3.1 ttm -170.29 -169.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 16' ' ' GLU . 5.3 t -94.58 127.64 40.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -40.71 -27.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.243 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -53.68 -67.12 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.302 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.406 ' SD ' ' SD ' ' A' ' 13' ' ' MET . 12.8 ptp -78.17 -40.13 38.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 1.4 tm0? -55.47 -47.46 76.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.536 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 1.1 tm0? -71.56 -48.02 51.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.389 1.056 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 44.0 t0 -51.37 -47.53 62.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.845 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . . . -67.87 -71.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.236 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.613 HG21 HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -37.21 -34.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.518 ' O ' HG22 ' A' ' 26' ' ' THR . 24.2 t0 -65.3 -59.46 4.02 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . 97.3 m -54.95 -31.35 60.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB1' ' CD2' ' A' ' 78' ' ' LEU . . . -65.75 -68.96 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.585 ' N ' HD11 ' A' ' 78' ' ' LEU . 8.1 t -48.7 -40.44 28.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -64.45 -38.89 92.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.52 ' C ' ' CD1' ' A' ' 38' ' ' ILE . . . -59.04 -51.96 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.497 HD22 HD12 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -65.58 -12.61 54.6 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -102.72 -1.65 29.6 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -120.4 -48.93 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.46 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 19.5 m-85 -96.96 166.57 11.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.593 1.183 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -125.74 10.28 7.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.604 HG22 ' H ' ' A' ' 37' ' ' ASP . 5.1 mp -119.57 108.91 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 3.6 mt-10 -50.25 -53.38 28.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -46.2 57.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.604 ' H ' HG22 ' A' ' 34' ' ' ILE . 1.6 t0 -70.96 -29.55 65.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.52 ' CD1' ' C ' ' A' ' 28' ' ' ALA . 1.6 mm -64.69 -56.56 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.18 76.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.4 73.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 30.0 t80 -75.37 -38.24 60.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.78 HG22 HD13 ' A' ' 85' ' ' LEU . 71.4 mt -66.57 -52.0 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 3.4 tmtt? -58.82 -49.11 78.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -60.99 -39.63 90.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.217 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -53.27 -55.74 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.845 ' CZ ' ' HB2' ' A' ' 21' ' ' ALA . 2.4 m-30 -74.26 -20.65 60.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 9.9 t0 -77.2 -18.63 57.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -52.41 -93.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.7 70.77 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' A' ' 46' ' ' PHE . 1.1 t80 -137.79 -66.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.828 HD21 HH21 ' A' ' 71' ' ' ARG . 16.4 t-20 -175.54 66.46 0.25 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.444 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.5 Cg_endo -75.01 160.72 39.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.444 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 1.4 t -96.84 152.43 18.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.364 1.04 . . . . 0.0 110.348 0.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.584 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 46.4 m95 -103.51 166.0 10.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 108.029 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 86.4 m-70 -141.34 118.38 11.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.625 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.407 ' HB2' HD12 ' A' ' 85' ' ' LEU . 7.8 t -108.72 146.13 33.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 108.374 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.623 HG22 HD21 ' A' ' 84' ' ' LEU . 12.9 mm -132.4 157.82 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.584 HG22 ' H ' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -136.16 -177.82 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.059 . . . . 0.0 109.365 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.584 ' H ' HG22 ' A' ' 58' ' ' VAL . . . 131.92 -92.95 0.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.585 1.178 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.63 -43.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 110.313 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -137.75 -166.84 2.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.882 ' CD1' HD13 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -104.13 -142.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 111.05 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.02 -16.18 1.74 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.0 m -113.14 86.27 2.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 109.959 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.527 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 48.3 p90 -160.34 -43.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.527 ' HB ' ' CE2' ' A' ' 65' ' ' TYR . 8.8 p -89.85 44.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.1 m -153.64 -53.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -110.16 -27.73 9.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.639 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 64.91 162.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 71' ' ' ARG . 46.0 p -144.45 126.37 15.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.828 HH21 HD21 ' A' ' 51' ' ' ASN . 12.5 mtp85 -32.86 -70.47 0.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.456 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 1.3 m-70 -127.0 136.43 52.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.592 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -145.49 167.02 24.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.601 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -160.59 121.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.479 ' CD2' ' O ' ' A' ' 75' ' ' TYR . 4.6 t80 -114.88 110.17 19.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.62 ' CE2' HD13 ' A' ' 78' ' ' LEU . 1.6 p90 -139.86 -179.63 6.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.819 ' HB3' HG23 ' A' ' 7' ' ' VAL . 12.9 t80 -101.86 122.22 43.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.631 HD22 HD13 ' A' ' 83' ' ' ILE . 3.2 tp -105.67 109.54 21.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.81 -97.34 0.41 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 111.07 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.403 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 1.2 pp0? -128.69 13.46 6.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.458 0.74 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.491 HG22 ' H ' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -129.54 -179.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.491 ' H ' HG22 ' A' ' 81' ' ' VAL . . . -106.45 162.29 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.631 HD13 HD22 ' A' ' 78' ' ' LEU . 1.1 tt -154.68 121.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.882 HD13 ' CD1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -123.58 101.52 7.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.533 1.145 . . . . 0.0 109.224 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.78 HD13 HG22 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -96.61 145.6 25.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 55' ' ' HIS . 25.8 p90 -160.02 149.13 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.584 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 16.0 tptm -110.38 119.43 39.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.387 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.4 t -130.11 85.22 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.506 0.194 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -101.96 -147.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.947 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 50.31 -155.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.417 ' HA ' ' CG2' ' A' ' 7' ' ' VAL . 51.7 mtp180 -139.71 15.86 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.221 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -67.73 106.21 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 5' ' ' LYS . . . 70.18 -71.24 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 8' ' ' ILE . 21.2 t 69.61 168.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.864 HD11 HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -146.29 134.79 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.54 -70.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.06 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -127.54 154.01 45.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.95 -48.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 42.05 62.97 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.484 ' CG ' ' HB2' ' A' ' 18' ' ' GLN . 3.3 ptm -163.0 -173.89 3.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -89.85 146.92 24.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.595 1.184 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.3 tt0 -51.72 -20.37 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -61.83 -56.34 20.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -80.2 -35.48 36.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 111.073 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HB2' ' CG ' ' A' ' 13' ' ' MET . 16.5 tt0 -64.99 -46.53 81.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.528 ' O ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -71.35 -53.7 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 56.7 t0 -54.57 -49.69 69.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -57.52 -69.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.864 HG21 HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -43.03 -26.69 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 21' ' ' ALA . 1.4 t0 -65.75 -57.97 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' HG23 ' A' ' 42' ' ' ILE . 24.2 p -63.11 -33.12 74.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 108.277 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.859 ' O ' HD21 ' A' ' 78' ' ' LEU . . . -63.72 -72.14 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.394 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.788 ' N ' HD11 ' A' ' 78' ' ' LEU . 66.5 p -49.13 -50.52 37.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.625 1.203 . . . . 0.0 110.39 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -54.41 -47.91 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.389 1.056 . . . . 0.0 110.313 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -51.18 -53.03 38.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 78' ' ' LEU . 8.1 tt -66.37 -25.83 66.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.71 11.79 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.213 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.94 -44.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.457 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 36.4 m-85 -94.41 166.35 12.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.96 7.94 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 37' ' ' ASP . 63.4 mt -121.36 95.49 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.742 ' HG2' HG11 ' A' ' 81' ' ' VAL . 1.2 mp0 -36.82 -45.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.231 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -51.0 -50.55 58.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -70.81 -26.87 63.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 29' ' ' LEU . 4.7 mt -64.41 -65.19 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.801 ' HB1' ' SG ' ' A' ' 56' ' ' CYS . . . -58.66 -34.76 71.59 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 44' ' ' LYS . . . -65.86 -33.2 75.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 46.9 t80 -76.22 -34.72 59.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.977 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 39' ' ' ALA . 30.0 mt -66.81 -60.7 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -57.17 -51.26 70.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -57.74 -40.76 80.42 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 7.9 tp10 -58.06 -48.0 81.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.5 m-85 -75.33 -70.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.642 1.214 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.502 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.29 -41.12 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -32.92 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.537 1.148 . . . . 0.0 109.379 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 70.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.434 ' OH ' ' CG ' ' A' ' 17' ' ' MET . 1.0 OUTLIER -147.15 -69.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.9 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -176.41 74.17 0.26 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.04 160.07 40.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.492 ' O ' ' CD ' ' A' ' 87' ' ' LYS . 3.7 t -100.22 152.82 19.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.46 -0.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.438 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 41.7 m95 -104.27 159.26 15.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 107.949 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 83.9 m-70 -140.72 117.46 10.98 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.576 1.173 . . . . 0.0 109.565 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.801 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 28.0 p -122.65 157.29 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.5 mm -134.31 155.48 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.359 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 58' ' ' VAL . 7.9 p -121.87 78.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.531 ' O ' ' HB3' ' A' ' 82' ' ' ALA . . . -118.36 -112.24 2.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HA ' ' CB ' ' A' ' 82' ' ' ALA . 4.3 mtm-85 -155.16 -42.95 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.346 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -149.2 156.05 41.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 84' ' ' LEU . 9.9 m-85 -141.78 -151.44 0.36 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -170.7 -129.37 1.11 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.555 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER 70.03 -85.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.798 . . . . 0.0 109.96 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.546 ' CG ' ' N ' ' A' ' 66' ' ' VAL . 8.5 t80 34.61 -90.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' A' ' 64' ' ' SER . 7.7 p -83.74 51.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.9 m -153.49 -57.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 69' ' ' GLU . 1.3 m170 -94.83 -37.18 11.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.589 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' C ' ' CG2' ' A' ' 70' ' ' THR . 38.6 mt-10 58.26 154.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.491 ' OG1' ' CD1' ' A' ' 73' ' ' PHE . 25.3 p -150.17 -144.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? -119.1 -66.69 1.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 110.332 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 1.8 m80 -132.19 117.65 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.584 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -138.94 158.63 43.85 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 111.079 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.579 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -160.81 118.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.887 ' HB2' HD12 ' A' ' 84' ' ' LEU . 1.2 t80 -112.32 115.32 28.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.557 1.16 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.707 ' HE2' HD13 ' A' ' 78' ' ' LEU . 1.7 p90 -144.39 -179.49 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.578 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 2.7 t80 -107.14 118.36 36.5 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.456 1.097 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.859 HD21 ' O ' ' A' ' 25' ' ' ALA . 5.8 tp -95.34 105.61 17.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.163 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.11 -80.36 0.14 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.578 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -149.02 24.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 0.789 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.742 HG11 ' HG2' ' A' ' 35' ' ' GLU . 12.0 t -135.42 149.49 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 59' ' ' GLY . . . -84.24 142.48 30.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 2.0 tt -147.11 117.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.887 HD12 ' HB2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -123.04 109.63 14.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.749 HD12 ' HB3' ' A' ' 56' ' ' CYS . 1.3 tp -103.58 145.47 29.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 55' ' ' HIS . 48.6 p90 -160.87 143.0 12.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 53' ' ' THR . 12.2 tptp -108.1 102.02 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.408 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.402 ' HG ' ' HE1' ' A' ' 86' ' ' PHE . 89.8 p -132.34 113.31 13.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.546 1.154 . . . . 0.0 110.891 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.0 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.486 0.184 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -153.76 75.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.007 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.63 102.56 14.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -143.37 30.89 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.418 1.073 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.17 167.31 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.517 ' HB2' ' CG2' ' A' ' 26' ' ' THR . . . -65.59 101.36 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 8' ' ' ILE . 68.6 t -84.29 165.28 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.967 HD11 HG21 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -142.61 137.55 28.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.256 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.559 ' NZ ' ' CZ ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -94.32 -100.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.63 120.76 42.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.515 ' HB2' HG13 ' A' ' 74' ' ' ILE . . . -154.16 67.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.17 99.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 tpt -165.85 175.61 8.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 16' ' ' GLU . 14.1 t -89.85 145.88 24.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.1 tt0 -47.81 -22.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.361 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -59.19 -63.0 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.534 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 13.7 ttt -79.66 -32.6 41.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.512 ' NE2' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -65.02 -45.87 83.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -71.89 -52.82 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 33.5 t0 -55.6 -50.36 70.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -57.63 -70.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.967 HG21 HD11 ' A' ' 8' ' ' ILE . 1.1 p -42.51 -26.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.475 ' OD1' ' NE2' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -65.46 -57.94 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.819 ' SG ' HG23 ' A' ' 42' ' ' ILE . 30.6 p -63.48 -38.1 89.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.779 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -60.98 -72.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.62 ' HA ' HD22 ' A' ' 78' ' ' LEU . 96.7 m -48.0 -49.99 29.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -53.8 -43.97 69.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.956 ' HB1' HG23 ' A' ' 38' ' ' ILE . . . -55.84 -54.22 47.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.874 HD13 ' HB3' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -66.11 -14.22 61.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.74 4.03 47.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -130.23 -53.51 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -95.79 159.77 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.98 -27.77 7.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.601 1.188 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' ASP . 4.7 mt -81.25 84.38 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.925 ' OE2' HG11 ' A' ' 58' ' ' VAL . 11.7 tm-20 -35.21 -43.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.588 1.18 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -46.4 -51.76 14.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 4.5 t70 -71.45 -25.02 62.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.956 HG23 ' HB1' ' A' ' 28' ' ' ALA . 9.5 mt -67.74 -68.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.961 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -54.52 -38.91 67.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.86 -31.94 72.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.485 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 1.2 t80 -76.54 -33.9 58.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.961 HD12 ' HA ' ' A' ' 39' ' ' ALA . 10.4 mt -66.32 -52.46 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' CG ' ' HB2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -60.92 -48.16 83.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -59.65 -42.27 92.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.94 -46.49 84.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -74.02 -69.28 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.8 -37.64 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -31.87 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -129.62 69.05 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -142.93 -69.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -176.4 73.46 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.79 40.89 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.555 1.819 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.3 t -99.97 154.08 18.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.433 0.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 40.1 m95 -105.46 166.79 10.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 67.0 m-70 -141.34 113.98 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.67 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.691 ' HB2' HD12 ' A' ' 85' ' ' LEU . 10.7 t -110.16 145.91 36.42 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.635 1.209 . . . . 0.0 108.379 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.1 mt -134.73 157.14 40.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.925 HG11 ' OE2' ' A' ' 35' ' ' GLU . 2.6 p -134.06 95.11 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.1 -94.25 0.6 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.28 -42.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.289 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -110.06 -168.79 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.865 ' CB ' HD13 ' A' ' 84' ' ' LEU . 3.3 p90 -113.05 72.66 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' PHE . . . 37.3 -143.15 0.2 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.592 1.182 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 66' ' ' VAL . 48.7 m -89.81 -42.8 11.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.619 ' CG ' ' N ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER 60.68 -71.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.619 ' N ' ' CG ' ' A' ' 65' ' ' TYR . 7.9 p -78.84 56.83 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -154.5 -60.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 69' ' ' GLU . 14.1 t60 -103.53 -34.39 8.69 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.539 1.15 . . . . 0.0 109.615 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 68' ' ' HIS . 3.1 mt-10 59.19 152.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.561 ' OG1' ' CD1' ' A' ' 73' ' ' PHE . 66.7 p -129.56 -146.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.364 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -111.27 -71.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -119.77 110.79 17.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.6 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.635 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -134.35 162.72 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.388 1.055 . . . . 0.0 111.083 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.575 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -160.11 122.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.559 ' CZ ' ' NZ ' ' A' ' 9' ' ' LYS . 27.6 t80 -112.72 121.06 43.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.598 ' HE2' ' HB1' ' A' ' 25' ' ' ALA . 1.4 p90 -150.82 -179.61 7.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 3.4 t80 -115.75 112.94 22.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.874 ' HB3' HD13 ' A' ' 29' ' ' LEU . 20.2 mt -87.52 118.39 26.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.479 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 59.11 -83.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.436 1.085 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.432 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -147.74 35.81 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.6 t -144.66 157.12 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.395 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.35 150.08 22.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.234 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.608 HD13 HD12 ' A' ' 78' ' ' LEU . 6.0 tt -151.62 121.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.865 HD13 ' CB ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -123.47 111.13 15.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.691 HD12 ' HB2' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -109.23 143.16 39.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 45.4 p90 -159.43 145.13 16.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.568 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -101.34 116.98 34.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p -135.97 113.8 11.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.526 0.203 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.63 91.0 3.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.948 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -85.78 -173.98 4.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.88 -93.73 0.12 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.45 1.093 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.29 77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.7 96.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.8 t -117.66 146.22 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 109.274 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.014 HD11 HG21 ' A' ' 22' ' ' VAL . 1.6 mt -128.47 128.71 68.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.216 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.13 -78.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -108.32 143.77 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.35 -46.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.0 t70 46.38 66.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.07 -174.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.0 t -89.75 139.89 30.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 110.043 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 1.3 tt0 -50.06 -20.86 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.357 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -61.33 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.35 -33.96 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.4 -46.53 82.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -71.39 -46.85 59.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.369 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 13.1 t70 -58.35 -45.89 87.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.212 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -65.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.014 HG21 HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -48.21 -25.32 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -66.45 -64.79 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.7 m -54.65 -36.17 64.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.326 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.634 ' C ' HD21 ' A' ' 78' ' ' LEU . . . -61.1 -68.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.592 ' CA ' HD11 ' A' ' 78' ' ' LEU . 24.0 m -47.42 -51.61 19.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.609 1.193 . . . . 0.0 110.352 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -54.31 -38.48 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 25' ' ' ALA . . . -57.79 -56.25 24.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.065 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -66.43 -13.9 61.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.45 1.05 51.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -128.7 -46.74 1.28 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.469 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 29.7 m-85 -99.68 158.39 15.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -117.97 -6.26 10.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 mp -102.8 111.0 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.891 ' CD ' HG11 ' A' ' 58' ' ' VAL . 2.0 tm-20 -50.5 -53.23 31.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.173 . . . . 0.0 110.261 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 55.2 mttt -43.62 -50.74 7.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.338 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.6 -31.63 70.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 1.6 mm -64.71 -69.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.748 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -54.1 -31.96 53.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 36' ' ' LYS . . . -67.33 -34.48 77.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 69.4 t80 -72.46 -39.53 67.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.5 mt -67.23 -59.05 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -50.7 -51.0 53.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -62.8 -34.27 76.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -53.88 -64.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.793 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 2.6 m-85 -73.74 -49.62 24.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 4.3 t70 -39.48 -39.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.35 -69.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -146.63 71.6 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.793 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 9.2 t80 -153.4 34.59 0.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.8 70.18 0.3 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.23 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.482 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -74.95 163.06 36.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.482 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 1.1 t -102.61 159.93 15.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.457 1.098 . . . . 0.0 110.416 -0.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.653 ' CZ2' ' CD2' ' A' ' 50' ' ' TYR . 39.8 m95 -107.64 168.89 8.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.635 1.209 . . . . 0.0 107.967 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 39.9 m-70 -140.57 126.94 19.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.632 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.748 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 1.4 t -114.54 138.97 49.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 1.077 . . . . 0.0 108.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.7 mm -124.84 151.46 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.891 HG11 ' CD ' ' A' ' 35' ' ' GLU . 5.6 p -135.13 99.79 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.38 1.05 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.51 -97.74 0.26 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -155.91 -43.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 110.359 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.25 -166.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CE1' ' CD2' ' A' ' 75' ' ' TYR . 4.3 m-85 -86.31 -142.77 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -143.57 -141.46 3.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -54.47 -57.34 11.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 0.734 . . . . 0.0 110.038 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 62' ' ' PHE . 0.2 OUTLIER 64.03 -73.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.437 1.086 . . . . 0.0 110.961 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.554 ' O ' HG22 ' A' ' 66' ' ' VAL . 5.0 p -81.0 55.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.8 m -152.73 -67.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.088 . . . . 0.0 110.395 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -26.05 16.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.634 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' C ' ' CG2' ' A' ' 70' ' ' THR . 8.8 mt-10 63.26 166.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.578 ' OG1' ' CD1' ' A' ' 73' ' ' PHE . 31.2 p -150.14 118.67 6.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' THR . 2.1 mmm180 -35.98 -66.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -130.43 154.06 48.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 109.633 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD1' ' OG1' ' A' ' 70' ' ' THR . 8.7 p90 -169.37 171.69 7.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 76' ' ' PHE . 1.4 tt -160.43 119.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.568 ' CD2' ' CE1' ' A' ' 62' ' ' PHE . 19.1 t80 -113.08 113.13 25.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 1.5 p90 -138.67 178.48 7.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -106.18 121.96 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.656 HD13 ' CE2' ' A' ' 76' ' ' PHE . 3.6 tp -104.6 102.46 12.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.358 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.58 -100.42 0.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.48 -10.25 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.736 . . . . 0.0 110.311 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.72 147.67 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.73 168.69 14.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.698 ' CG2' ' CZ ' ' A' ' 76' ' ' PHE . 1.6 tt -161.4 128.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -135.31 118.13 16.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.506 HD12 ' C ' ' A' ' 55' ' ' HIS . 8.1 tp -110.06 148.53 31.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 6.2 p90 -159.05 157.38 31.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.513 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 6.8 tptt -117.46 102.11 8.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.6 t -114.23 -72.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.649 1.218 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.164 . . . . 0.0 110.979 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mtp . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.45 0.167 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -99.72 84.68 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.96 115.06 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -150.28 50.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.345 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -69.33 170.86 9.5 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -40.89 138.44 1.04 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 5' ' ' LYS . 69.7 t -125.81 150.35 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.2 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.076 HD11 HG21 ' A' ' 22' ' ' VAL . 1.7 mt -123.91 141.36 44.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HE3' ' CZ ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.91 -69.62 0.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -136.0 108.63 7.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB2' HG13 ' A' ' 74' ' ' ILE . . . -156.76 57.89 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 13' ' ' MET . 1.4 m-20 -49.89 -88.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.41 ' O ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER 36.84 -156.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 16' ' ' GLU . 11.9 t -109.01 131.94 54.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.108 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 1.5 tt0 -45.02 -24.03 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -56.4 -65.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.222 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 18' ' ' GLN . 5.2 ppp? -78.5 -36.53 44.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.454 ' N ' ' SD ' ' A' ' 17' ' ' MET . 2.5 tt0 -60.25 -48.01 83.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.356 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -70.68 -54.05 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 14.1 t70 -50.33 -45.36 54.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.068 . . . . 0.0 109.205 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . . . -66.52 -73.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.076 HG21 HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -36.82 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.384 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' ALA . 34.8 t70 -64.65 -61.89 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.386 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 76.7 m -57.36 -29.98 64.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 108.33 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.713 ' C ' HD21 ' A' ' 78' ' ' LEU . . . -66.42 -74.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.767 ' CA ' HD11 ' A' ' 78' ' ' LEU . 6.4 t -47.29 -46.26 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 26' ' ' THR . 11.1 mm-40 -59.07 -44.28 91.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.398 1.061 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -54.67 -51.57 65.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.807 ' HA ' HD13 ' A' ' 38' ' ' ILE . 3.3 tt -65.85 -26.89 67.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.23 3.5 39.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -125.74 -42.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -107.83 161.05 15.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -115.03 -25.06 8.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' ASP . 3.3 mp -84.36 85.53 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.907 ' HG3' HG11 ' A' ' 58' ' ' VAL . 3.5 tm-20 -34.69 -45.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -45.16 -51.47 10.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.597 1.185 . . . . 0.0 109.262 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -71.9 -27.92 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.807 HD13 ' HA ' ' A' ' 29' ' ' LEU . 10.0 mt -64.99 -68.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.602 ' HB1' ' SG ' ' A' ' 56' ' ' CYS . . . -57.35 -32.64 66.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 36' ' ' LYS . . . -66.23 -33.72 76.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.504 ' CE2' ' HG3' ' A' ' 45' ' ' GLU . 39.5 t80 -74.89 -36.58 62.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 39.0 mt -68.04 -55.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -51.03 70.58 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 18.0 ttpp -63.64 -35.02 79.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.504 ' HG3' ' CE2' ' A' ' 41' ' ' TYR . 2.9 mm-40 -53.55 -58.67 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.215 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' A' ' 50' ' ' TYR . 2.9 m-85 -73.51 -43.73 59.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.634 1.209 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 52' ' ' PRO . 8.1 t0 -48.24 -31.2 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 2.9 mmmt -50.3 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -141.3 71.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.505 ' CE2' ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -155.97 44.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 111.016 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 64.08 68.48 0.83 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.518 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.99 164.24 33.77 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.475 1.776 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.521 ' O ' ' CE ' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -102.22 162.65 12.75 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 110.437 0.071 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 87' ' ' LYS . 21.1 m95 -112.97 159.69 18.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 108.035 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 53.0 m-70 -140.4 123.44 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.584 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.926 ' C ' HD12 ' A' ' 57' ' ' ILE . 15.2 p -119.59 143.56 47.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.926 HD12 ' C ' ' A' ' 56' ' ' CYS . 1.9 mp -124.68 152.37 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.907 HG11 ' HG3' ' A' ' 35' ' ' GLU . 60.2 t -134.72 96.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.374 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -136.09 -87.96 0.24 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.6 1.187 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -155.56 -42.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.234 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -139.72 -170.07 2.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.405 ' CD2' ' N ' ' A' ' 63' ' ' GLY . 51.2 p90 -128.72 -159.54 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.582 1.176 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' TYR . . . -168.3 -55.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.4 p -62.27 78.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 0.73 . . . . 0.0 109.971 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 63' ' ' GLY . 27.5 t80 -137.55 -50.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 66' ' ' VAL . 14.4 p -123.28 52.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 p -148.75 -56.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -110.51 -30.14 7.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.607 1.192 . . . . 0.0 109.59 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.66 160.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.2 p -138.29 -146.02 0.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.448 1.092 . . . . 0.0 110.427 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -112.29 -64.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 2.3 m-70 -130.69 127.87 39.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.642 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.45 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 5.1 p90 -152.25 166.32 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.589 HG13 ' HB2' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -160.92 117.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.435 ' CZ ' ' HE3' ' A' ' 9' ' ' LYS . 4.3 t80 -112.6 115.22 28.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.633 ' HE2' HD13 ' A' ' 78' ' ' LEU . 1.9 p90 -146.32 179.44 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.531 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 4.3 t80 -106.42 120.59 42.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.767 HD11 ' CA ' ' A' ' 26' ' ' THR . 5.0 tp -96.61 111.14 23.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.86 -81.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.568 1.167 . . . . 0.0 111.065 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.531 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -147.97 34.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.243 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 78' ' ' LEU . 4.4 p -145.07 154.12 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' ' 58' ' ' VAL . . . -87.89 141.2 28.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.805 HG13 HG22 ' A' ' 58' ' ' VAL . 2.3 tt -147.53 119.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 0.7 OUTLIER -128.34 114.4 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' A' ' 56' ' ' CYS . 0.4 OUTLIER -109.44 142.5 40.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.492 ' HE2' HD13 ' A' ' 57' ' ' ILE . 46.3 p90 -154.64 160.17 41.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.638 ' HZ3' ' CA ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -114.86 100.86 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.638 ' CA ' ' HZ3' ' A' ' 87' ' ' LYS . 14.9 p -124.09 112.08 16.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 110.04 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.436 ' N ' ' NZ ' ' A' ' 87' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.411 0.148 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.34 65.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.78 174.62 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.434 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 1.7 mpt_? -132.71 -52.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.94 174.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.75 -61.66 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 4' ' ' ARG . 37.5 t 64.6 158.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.855 HD11 HG21 ' A' ' 22' ' ' VAL . 1.2 mp -150.77 138.83 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.2 -66.24 0.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -147.61 111.01 4.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' MET . . . -139.78 66.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.1 91.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -167.3 -177.75 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -89.84 146.56 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.1 OUTLIER -50.4 -20.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -60.52 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 110.264 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 1.3 mpp? -80.58 -33.77 35.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 16.1 tt0 -65.12 -45.78 83.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.563 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -72.26 -52.34 16.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 24.8 t0 -55.61 -51.04 68.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -56.07 -66.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.378 1.049 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.855 HG21 HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -48.95 -23.22 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 20' ' ' ASP . 1.2 t0 -65.89 -60.42 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.1 m -63.33 -29.82 71.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 108.348 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.707 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -64.93 -70.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.441 ' HA ' HD22 ' A' ' 78' ' ' LEU . 14.8 t -48.38 -46.28 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -59.25 -43.62 92.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.528 ' HB2' ' CE2' ' A' ' 41' ' ' TYR . . . -53.91 -52.26 61.13 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.444 1.09 . . . . 0.0 109.355 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -24.72 66.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -87.85 9.4 22.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -134.3 -44.62 0.77 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.072 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -95.62 -170.46 2.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -144.29 -45.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 37' ' ' ASP . 2.3 mp -67.56 84.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.227 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.68 ' HA ' HD12 ' A' ' 38' ' ' ILE . 3.4 mt-10 -32.55 -42.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.377 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -51.3 -53.32 37.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 34' ' ' ILE . 12.0 t0 -69.69 -25.83 64.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 35' ' ' GLU . 24.2 mt -64.74 -50.29 76.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.569 1.168 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.445 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . . . -66.0 -39.64 90.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.66 -30.47 70.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 28' ' ' ALA . 24.8 t80 -72.06 -39.44 69.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.524 HG22 HD13 ' A' ' 85' ' ' LEU . 32.4 mt -66.82 -61.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -50.27 -51.89 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.371 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' HA ' ' OD2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -61.02 -37.32 82.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -54.94 -51.43 66.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 110.302 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.595 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -75.52 -64.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.108 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -38.01 -33.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.355 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 2.2 tppp? -36.17 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -138.89 65.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.595 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 2.4 t80 -138.83 -68.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -175.54 73.2 0.28 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.437 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.15 160.46 39.63 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.69 HG23 ' NE2' ' A' ' 55' ' ' HIS . 4.9 t -99.49 156.79 16.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 0.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CE3' HD21 ' A' ' 85' ' ' LEU . 44.9 m95 -108.94 157.98 18.13 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.69 ' NE2' HG23 ' A' ' 53' ' ' THR . 17.6 m-70 -140.8 110.85 6.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.626 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 84' ' ' LEU . 4.2 t -119.65 155.0 33.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 108.185 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.603 ' H ' HD13 ' A' ' 84' ' ' LEU . 26.8 mm -135.34 164.9 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.483 ' N ' HG22 ' A' ' 57' ' ' ILE . 96.4 t -130.07 87.47 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.93 -98.63 0.9 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.387 1.055 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.3 -42.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 0.749 . . . . 0.0 110.318 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -133.82 -167.11 1.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -105.41 -144.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.61 -79.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.1 p -98.53 87.26 3.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.442 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 2.2 t80 -131.61 -44.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.988 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.7 p -91.89 37.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.539 HG23 ' H ' ' A' ' 68' ' ' HIS . 1.4 t -155.28 -58.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.539 ' H ' HG23 ' A' ' 67' ' ' THR . 79.7 t60 -97.32 -31.38 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.56 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 11.7 pt-20 45.61 -172.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.126 . . . . 0.0 110.234 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.414 ' CG2' ' C ' ' A' ' 69' ' ' GLU . 24.4 p -149.04 -146.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.405 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -104.92 -64.35 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -128.44 119.93 25.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 0.0 109.609 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 2.1 p90 -139.99 160.39 40.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.622 1.201 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.513 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -161.26 119.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.416 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -115.07 114.95 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.577 ' HE2' ' HB1' ' A' ' 25' ' ' ALA . 1.5 p90 -140.45 -179.68 6.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.097 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 3.7 t80 -111.31 112.53 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.099 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.778 HD12 HD13 ' A' ' 83' ' ' ILE . 18.1 mt -90.27 117.65 29.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 64.33 -84.86 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.505 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 11.1 pt20 -147.42 28.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.242 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.657 HG11 ' HG2' ' A' ' 35' ' ' GLU . 7.2 p -139.83 162.34 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.6 152.48 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.778 HD13 HD12 ' A' ' 78' ' ' LEU . 8.0 tt -152.51 121.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.308 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.978 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -117.41 122.76 44.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.718 ' N ' HD22 ' A' ' 84' ' ' LEU . 8.5 tt -122.4 128.91 51.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.361 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.744 ' HD2' HD21 ' A' ' 84' ' ' LEU . 5.6 p90 -145.85 147.96 32.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.462 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -104.08 121.54 43.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.47 111.43 5.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.935 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.465 0.174 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.79 89.12 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.05 163.47 21.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -142.36 -64.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.187 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.11 -166.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.497 ' O ' HD12 ' A' ' 8' ' ' ILE . . . -46.05 104.14 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.705 ' C ' HD12 ' A' ' 8' ' ' ILE . 45.3 t -66.07 162.75 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.705 HD12 ' C ' ' A' ' 7' ' ' VAL . 1.8 mp -134.52 133.12 54.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -89.83 -61.12 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -147.02 134.58 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.52 ' CB ' ' NE2' ' A' ' 18' ' ' GLN . . . -153.08 -47.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 13' ' ' MET . 0.4 OUTLIER 64.36 -162.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 109.253 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.538 ' CE ' ' CE1' ' A' ' 72' ' ' HIS . 1.4 ttt 76.96 -171.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.43 ' CB ' ' HG2' ' A' ' 16' ' ' GLU . 7.1 t -89.5 142.3 27.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 110.024 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -47.36 -23.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.398 1.061 . . . . 0.0 110.381 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HG2' ' CB ' ' A' ' 14' ' ' SER . 9.2 pt-20 -59.7 -52.64 64.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.414 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -79.48 -41.16 28.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 111.054 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.52 ' NE2' ' CB ' ' A' ' 11' ' ' ALA . 2.5 tp60 -61.12 -43.74 98.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -70.57 -56.58 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.222 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 38.5 t0 -50.66 -44.32 57.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' C ' ' N ' ' A' ' 23' ' ' ASP . . . -65.42 -70.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.663 HG21 HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -41.16 -29.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 8.0 t70 -65.12 -62.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 96.9 m -56.68 -29.86 62.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 108.249 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.96 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -65.84 -73.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.553 ' HA ' HD22 ' A' ' 78' ' ' LEU . 16.3 m -48.73 -50.32 34.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -54.18 -49.16 69.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -50.95 -52.6 40.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.367 1.042 . . . . 0.0 109.228 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -65.84 -22.08 66.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.24 9.36 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -132.38 -45.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.653 1.221 . . . . 0.0 109.236 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.422 ' CB ' HG12 ' A' ' 38' ' ' ILE . 43.6 m-85 -96.5 176.85 5.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -130.66 -43.61 1.11 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.43 1.081 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' A' ' 37' ' ' ASP . 2.9 mt -67.62 83.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.631 ' HA ' HD12 ' A' ' 38' ' ' ILE . 7.7 mp0 -33.79 -43.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 110.261 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.39 -51.04 49.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 34' ' ' ILE . 6.7 t70 -71.72 -24.46 61.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 35' ' ' GLU . 20.6 mt -66.02 -51.95 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.716 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -65.48 -42.34 92.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.28 -28.76 68.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.489 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 1.5 t80 -74.32 -37.24 63.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 39' ' ' ALA . 9.9 mt -66.89 -52.79 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -60.35 -49.66 76.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' HA ' ' OD1' ' A' ' 47' ' ' ASP . 15.7 ttpt -59.09 -41.26 87.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 45' ' ' GLU . 10.2 tm-20 -54.74 -52.64 61.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.19 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -73.44 -65.92 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.75 -32.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.07 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.512 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -36.09 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -132.92 66.57 1.56 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.399 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -138.99 -68.72 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 0.0 111.081 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 1.6 m120 -176.03 73.17 0.26 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.402 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.7 Cg_endo -74.92 160.3 40.56 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.57 1.826 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.402 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 3.4 t -99.61 158.23 15.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -0.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.574 ' CZ3' ' HB2' ' A' ' 87' ' ' LYS . 44.7 m95 -111.52 171.98 7.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.009 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 27.5 m80 -140.58 112.65 7.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.463 1.102 . . . . 0.0 109.638 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.82 ' SG ' HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -102.82 133.91 47.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 1.154 . . . . 0.0 108.255 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 58' ' ' VAL . 36.3 mm -135.33 164.19 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.461 ' N ' HG22 ' A' ' 57' ' ' ILE . 2.1 p -135.63 93.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.34 -104.53 1.99 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.542 1.152 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -155.35 -43.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.395 0.703 . . . . 0.0 110.314 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -134.1 -69.19 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' HA ' ' CE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -135.23 -159.2 0.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.379 1.049 . . . . 0.0 111.043 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.8 143.99 4.24 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.2 p 52.64 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.625 0.838 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.471 ' CE2' ' CE1' ' A' ' 73' ' ' PHE . 7.1 t80 -160.92 -44.73 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.564 1.165 . . . . 0.0 111.086 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -109.77 42.93 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.541 HG22 ' N ' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -155.26 -68.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 110.457 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.541 ' N ' HG22 ' A' ' 67' ' ' THR . 47.2 m-70 -105.31 50.38 0.78 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 0.0 109.546 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' HIS . 56.0 mt-10 -37.86 151.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.625 HG21 ' HD2' ' A' ' 86' ' ' PHE . 46.0 p -127.28 -148.41 0.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -110.34 -67.1 1.01 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.538 ' CE1' ' CE ' ' A' ' 13' ' ' MET . 0.4 OUTLIER -123.78 111.99 16.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.559 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 12.3 p90 -124.25 161.37 25.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.415 1.072 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.575 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -159.66 105.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 1.011 ' CE2' HD22 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -107.33 104.25 13.81 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.575 ' CD1' HG12 ' A' ' 74' ' ' ILE . 2.0 p90 -133.08 -179.37 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 111.054 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 5.7 t80 -105.56 132.96 51.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.96 HD11 ' HB1' ' A' ' 25' ' ' ALA . 19.1 mt -115.58 107.68 15.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.13 -92.33 0.3 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -135.34 19.59 3.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 110.315 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.601 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 14.5 m -133.48 170.27 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.58 163.03 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.528 HG23 ' CE1' ' A' ' 76' ' ' PHE . 1.5 tp -154.9 126.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.011 HD22 ' CE2' ' A' ' 75' ' ' TYR . 27.8 tp -128.12 109.07 11.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.184 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.82 HD12 ' SG ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -111.13 122.14 47.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.355 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.625 ' HD2' HG21 ' A' ' 70' ' ' THR . 6.6 p90 -142.17 140.45 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -93.01 108.81 20.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.4 t -126.96 139.7 52.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.574 0.226 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -142.42 92.4 2.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.074 . . . . 0.0 110.035 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -110.99 155.5 22.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.8 mtp85 -143.88 35.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -47.14 125.29 7.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.62 101.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.0 t -86.8 157.54 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.907 HD11 HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -140.55 132.96 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -90.25 -90.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.602 1.189 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -112.47 108.32 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.025 ' CB ' HD13 ' A' ' 74' ' ' ILE . . . -132.12 -55.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.488 ' O ' ' C ' ' A' ' 13' ' ' MET . 1.0 OUTLIER 54.46 -96.01 0.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.561 ' HG2' ' CE1' ' A' ' 72' ' ' HIS . 2.5 tpt 30.52 -146.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.461 ' C ' ' N ' ' A' ' 16' ' ' GLU . 7.2 t -119.54 137.13 54.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 8.8 tt0 -41.24 -25.94 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.479 1.112 . . . . 0.0 110.198 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 14' ' ' SER . 2.3 mt-10 -60.68 -54.99 38.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.509 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.6 mpt? -81.57 -35.15 30.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' O ' HG12 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -66.3 -46.61 76.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.363 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -70.88 -47.1 61.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 9.3 t0 -61.75 -44.76 96.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -64.95 -64.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.907 HG21 HD11 ' A' ' 8' ' ' ILE . 3.1 p -51.24 -24.62 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -65.98 -65.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 m -58.57 -30.12 66.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 108.308 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.831 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -65.15 -73.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.551 ' HA ' HD22 ' A' ' 78' ' ' LEU . 1.1 m -47.65 -42.19 23.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 110.493 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.7 -41.72 99.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.491 ' C ' ' CD1' ' A' ' 38' ' ' ILE . . . -54.5 -50.9 66.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 78' ' ' LEU . 5.4 tt -65.45 -18.21 65.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.53 8.26 44.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -130.12 -46.39 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.469 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 26.2 m-85 -106.05 160.4 15.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -114.78 -12.07 12.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.96 105.61 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.788 ' HG3' HG21 ' A' ' 81' ' ' VAL . 3.3 mm-40 -51.01 -47.11 61.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -50.72 -45.5 58.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 5.1 t0 -74.98 -24.32 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.491 ' CD1' ' C ' ' A' ' 28' ' ' ALA . 1.6 mm -68.11 -63.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.972 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -60.89 -38.03 84.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 36' ' ' LYS . . . -66.76 -31.1 71.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 11.5 t80 -75.83 -36.75 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.972 HD12 ' HA ' ' A' ' 39' ' ' ALA . 6.9 mt -65.3 -51.26 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -60.65 -47.77 84.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -59.35 -42.07 90.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' C ' ' CD ' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -56.43 -48.12 77.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.472 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.8 m-85 -74.26 -70.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.071 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.477 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -34.63 -38.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -33.08 -79.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -134.56 66.7 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -139.78 -69.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.404 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 18.2 t-20 -176.86 73.67 0.24 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.152 . . . . 0.0 109.236 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.442 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -74.97 160.44 40.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.468 1.773 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.455 ' O ' ' CD ' ' A' ' 87' ' ' LYS . 9.7 t -99.56 155.45 17.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 -0.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.507 ' CZ3' ' HB3' ' A' ' 72' ' ' HIS . 45.8 m95 -107.92 168.81 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 107.998 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 38.6 m-70 -140.5 116.73 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.68 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.963 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 t -113.42 137.35 51.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.963 HD12 ' C ' ' A' ' 56' ' ' CYS . 2.1 mp -130.3 150.73 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 82' ' ' ALA . 21.4 t -134.54 98.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.96 -94.07 0.55 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.98 -43.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.428 0.722 . . . . 0.0 110.279 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -137.02 -165.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 63' ' ' GLY . 6.6 p90 -140.53 -148.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.444 ' N ' ' CG ' ' A' ' 62' ' ' PHE . . . 140.42 69.14 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.98 91.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -160.32 -51.09 0.05 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.538 ' O ' HG22 ' A' ' 66' ' ' VAL . 7.1 p -94.24 46.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 m -155.01 -63.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.57 -38.46 9.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.64 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.49 154.76 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.6 p -142.58 -146.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -127.98 -71.85 0.64 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.404 1.065 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 13' ' ' MET . 3.8 t-80 -114.85 112.71 23.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.63 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -140.69 150.56 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.961 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 1.025 HD13 ' CB ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -161.85 115.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.822 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.2 t80 -111.28 120.72 43.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 1.4 p90 -142.53 -179.61 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.587 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 4.5 t80 -110.9 117.06 32.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.831 HD11 ' HB1' ' A' ' 25' ' ' ALA . 15.1 mt -92.8 116.48 29.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.386 1.053 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.41 -81.37 0.01 OUTLIER Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.432 1.082 . . . . 0.0 111.003 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.587 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 4.6 mt-30 -149.43 36.89 0.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.788 HG21 ' HG3' ' A' ' 35' ' ' GLU . 7.1 p -145.15 160.04 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.62 1.2 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.588 ' O ' HG13 ' A' ' 58' ' ' VAL . . . -93.67 144.85 25.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.618 HD13 HD12 ' A' ' 78' ' ' LEU . 5.6 tt -149.53 117.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.22 118.26 30.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.39 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 56' ' ' CYS . 1.1 tp -114.81 134.26 55.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.172 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 45.4 p90 -153.82 148.61 26.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 53' ' ' THR . 3.4 tptt -112.97 112.1 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.0 t -128.62 146.98 50.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.986 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 110.94 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 mmt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.568 0.223 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.84 115.92 5.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.098 . . . . 0.0 109.952 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.13 173.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.64 -44.36 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.537 ' O ' HG23 ' A' ' 7' ' ' VAL . 5.4 mtpt 63.76 -171.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.61 1.194 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -41.49 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 5' ' ' LYS . 42.7 t -135.38 159.67 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.881 HD11 HG21 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -120.21 140.7 43.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.184 . . . . 0.0 109.254 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -77.12 0.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.442 1.089 . . . . 0.0 109.214 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -138.24 124.81 20.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.247 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.468 ' CB ' HG13 ' A' ' 74' ' ' ILE . . . -162.84 89.15 0.64 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -63.64 95.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.421 ' HE1' ' CB ' ' A' ' 17' ' ' MET . 2.0 ttt -165.69 179.35 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 111.035 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.428 ' C ' ' N ' ' A' ' 16' ' ' GLU . 45.1 t -93.29 140.58 29.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.0 tt0 -45.42 -23.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.7 tm-20 -59.11 -59.85 4.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.421 ' CB ' ' HE1' ' A' ' 13' ' ' MET . 5.2 mmt -80.19 -36.57 34.75 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -62.46 -47.9 82.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.237 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -71.27 -48.27 51.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 12.5 t70 -55.76 -44.68 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 23' ' ' ASP . . . -67.69 -73.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.203 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.961 HG23 ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -41.0 -30.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.384 1.053 . . . . 0.0 109.23 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 7.2 t70 -66.71 -57.99 6.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.613 1.196 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.2 m -53.9 -48.62 69.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 108.206 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.999 ' O ' HD11 ' A' ' 78' ' ' LEU . . . -58.41 -49.13 78.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -50.17 -59.94 3.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 110.354 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -59.78 -35.01 73.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.228 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 25' ' ' ALA . . . -51.19 -58.82 5.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.657 ' HB2' HD12 ' A' ' 78' ' ' LEU . 6.9 tt -66.28 -31.93 73.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -70.13 -6.86 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.68 -39.74 2.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -100.2 -171.8 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -142.28 -44.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 37' ' ' ASP . 7.6 mt -67.33 86.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.926 ' HG2' HG21 ' A' ' 81' ' ' VAL . 2.6 mt-10 -34.42 -41.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -51.69 -53.95 33.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -67.31 -28.93 68.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.217 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 29' ' ' LEU . 13.0 mt -63.77 -47.13 92.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -65.94 -39.31 90.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.3 -31.08 71.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.24 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -71.85 -38.72 70.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.903 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 39' ' ' ALA . 24.9 mt -65.65 -54.1 31.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -54.49 -47.12 73.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.22 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 18.5 ttmm -63.8 -38.39 90.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -56.97 12.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -72.71 -44.45 61.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 52' ' ' PRO . 0.8 OUTLIER -50.28 -26.33 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.243 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -44.11 -86.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.227 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.24 70.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -137.15 -69.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.41 ' O ' ' HD3' ' A' ' 87' ' ' LYS . 5.0 t-20 -177.49 70.84 0.22 Allowed Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HG3' ' O ' ' A' ' 47' ' ' ASP . 18.4 Cg_endo -75.0 159.56 41.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.4 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 8.5 t -98.75 152.8 19.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 110.438 0.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.515 ' CE3' HD21 ' A' ' 85' ' ' LEU . 40.8 m95 -104.22 169.5 8.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 93.2 m-70 -140.63 116.88 10.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.639 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.758 ' HB2' HD12 ' A' ' 85' ' ' LEU . 10.4 t -112.65 143.27 44.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 108.318 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.9 mm -130.23 151.67 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.701 HG22 ' H ' ' A' ' 59' ' ' GLY . 3.7 p -136.23 -178.75 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.207 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.701 ' H ' HG22 ' A' ' 58' ' ' VAL . . . 130.67 -119.64 2.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -155.63 22.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 0.762 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -132.34 169.21 16.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.402 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.422 ' O ' ' CG ' ' A' ' 62' ' ' PHE . 6.5 t80 -155.05 92.72 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -132.83 77.5 0.38 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.578 1.173 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 p -174.1 78.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 109.99 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -160.18 -45.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.4 1.062 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.78 57.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 m -150.15 -62.99 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -107.34 -31.76 8.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 109.617 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 62.11 150.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.9 p -134.48 -148.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.592 1.183 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -97.97 -62.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 30.9 m-70 -140.19 117.62 11.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.65 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -128.18 166.97 17.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 111.042 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.597 HG12 ' CD1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -160.5 121.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.241 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -113.85 119.14 36.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 111.071 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.961 ' CD2' HG23 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -152.21 -179.87 7.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 8.9 t80 -99.76 125.97 45.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.999 HD11 ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -107.87 112.79 25.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.465 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 66.24 -91.63 0.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.519 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -138.03 24.14 2.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 0.786 . . . . 0.0 110.327 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.926 HG21 ' HG2' ' A' ' 35' ' ' GLU . 33.0 m -141.17 178.09 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -97.04 157.38 15.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.409 HG23 ' CE1' ' A' ' 76' ' ' PHE . 2.5 tt -154.01 122.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.44 120.7 28.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.758 HD12 ' HB2' ' A' ' 56' ' ' CYS . 0.7 OUTLIER -118.16 151.07 38.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 55' ' ' HIS . 33.0 p90 -159.19 147.56 17.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.062 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.418 ' HE2' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -99.03 102.95 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.418 ' N ' ' HE2' ' A' ' 87' ' ' LYS . 43.1 t -107.89 -63.64 1.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.038 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.537 HD11 HG21 ' A' ' 22' ' ' VAL . 1.2 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HD2' ' CZ ' ' A' ' 75' ' ' TYR . 3.3 mttm -89.85 -84.06 0.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -111.75 141.88 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.208 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -144.68 -48.62 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 43.72 73.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttm -168.47 -177.17 3.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 16' ' ' GLU . 22.7 t -89.69 139.97 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.7 OUTLIER -48.76 -21.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 14' ' ' SER . 34.1 mm-40 -59.93 -64.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.516 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 7.4 mmt -79.67 -30.71 41.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 1.3 tm0? -66.77 -47.47 72.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.545 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -71.21 -46.55 60.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -61.28 -45.47 94.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -63.18 -61.48 2.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -53.22 -26.04 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -64.0 -63.24 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.629 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 22.9 m -59.33 -26.67 65.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 108.342 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.786 ' C ' HD21 ' A' ' 78' ' ' LEU . . . -65.68 -72.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.641 ' N ' HD11 ' A' ' 78' ' ' LEU . 11.0 t -50.11 -51.49 42.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.476 ' N ' HG23 ' A' ' 26' ' ' THR . 3.9 mm-40 -54.83 -47.38 74.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.629 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -51.61 -53.32 39.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.906 ' HA ' HD13 ' A' ' 38' ' ' ILE . 3.4 tt -65.64 -26.99 68.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.83 3.57 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.25 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -126.17 -41.76 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CB ' HG12 ' A' ' 38' ' ' ILE . 5.6 m-85 -102.28 162.59 12.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -116.44 -28.13 6.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' ASP . 4.5 mp -79.87 86.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.502 ' HG2' HG21 ' A' ' 81' ' ' VAL . 1.1 mt-10 -37.04 -52.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -45.41 15.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 34' ' ' ILE . 5.9 t70 -74.56 -27.56 60.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.906 HD13 ' HA ' ' A' ' 29' ' ' LEU . 19.6 mt -64.85 -56.45 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.847 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -64.02 -38.32 90.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.245 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.16 -30.27 70.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.476 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 2.9 t80 -75.94 -34.66 59.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.847 HD12 ' HA ' ' A' ' 39' ' ' ALA . 10.4 mt -67.8 -55.5 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -49.8 76.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HA ' ' OD1' ' A' ' 47' ' ' ASP . 8.0 ttpp -59.84 -42.32 93.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 6.3 tp10 -55.76 -48.46 75.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' LYS . 1.1 m-85 -75.26 -68.65 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.05 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -35.89 -33.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -34.99 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -133.12 66.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.433 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 1.2 t80 -141.79 -67.69 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.422 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 5.7 t30 -176.05 72.59 0.26 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.41 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.0 Cg_endo -75.01 158.79 41.96 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.519 1.8 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.571 HG23 ' NE2' ' A' ' 55' ' ' HIS . 5.0 t -99.78 151.47 21.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 0.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.532 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 41.3 m95 -102.11 149.55 24.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 13.2 m170 -125.82 117.02 22.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.477 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 19.6 p -117.55 152.43 35.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 108.287 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.8 mm -135.28 147.81 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.42 120.02 27.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.535 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.5 p90 -141.07 162.52 35.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.584 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -160.79 119.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.223 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.834 ' HB2' HD12 ' A' ' 84' ' ' LEU . 1.5 t80 -113.11 115.66 28.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.69 ' HE2' HD13 ' A' ' 78' ' ' LEU . 1.7 p90 -146.16 178.2 8.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 111.007 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 5.4 t80 -103.82 117.14 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.786 HD21 ' C ' ' A' ' 25' ' ' ALA . 5.1 tp -97.88 117.84 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.408 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 63.48 -83.87 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.579 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -148.14 28.54 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.33 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.594 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 20.0 m -140.48 169.65 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.35 150.84 21.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.6 tt -151.15 117.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.834 HD12 ' HB2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -119.9 103.4 9.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.481 HD21 ' CE3' ' A' ' 54' ' ' TRP . 5.9 tt -100.54 143.54 30.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.358 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 41.1 p90 -160.57 142.88 12.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.532 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 8.5 tptp -99.49 111.72 24.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.528 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 37.2 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.613 HD11 HG21 ' A' ' 22' ' ' VAL . 1.2 mp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.415 ' CE ' ' OH ' ' A' ' 75' ' ' TYR . 2.5 mtmm -111.0 -75.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -128.03 143.93 51.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.18 -58.72 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 t0 55.69 81.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 73' ' ' PHE . 3.1 ttm -170.29 -169.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 16' ' ' GLU . 5.3 t -94.58 127.64 40.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -40.71 -27.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.243 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -53.68 -67.12 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.302 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.406 ' SD ' ' SD ' ' A' ' 13' ' ' MET . 12.8 ptp -78.17 -40.13 38.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 1.4 tm0? -55.47 -47.46 76.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.536 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 1.1 tm0? -71.56 -48.02 51.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.389 1.056 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 44.0 t0 -51.37 -47.53 62.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.845 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . . . -67.87 -71.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.236 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.613 HG21 HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -37.21 -34.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.518 ' O ' HG22 ' A' ' 26' ' ' THR . 24.2 t0 -65.3 -59.46 4.02 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . 97.3 m -54.95 -31.35 60.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB1' ' CD2' ' A' ' 78' ' ' LEU . . . -65.75 -68.96 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.585 ' N ' HD11 ' A' ' 78' ' ' LEU . 8.1 t -48.7 -40.44 28.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -64.45 -38.89 92.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.52 ' C ' ' CD1' ' A' ' 38' ' ' ILE . . . -59.04 -51.96 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.497 HD22 HD12 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -65.58 -12.61 54.6 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -102.72 -1.65 29.6 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -120.4 -48.93 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.46 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 19.5 m-85 -96.96 166.57 11.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.593 1.183 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -125.74 10.28 7.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.604 HG22 ' H ' ' A' ' 37' ' ' ASP . 5.1 mp -119.57 108.91 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 3.6 mt-10 -50.25 -53.38 28.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -46.2 57.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.604 ' H ' HG22 ' A' ' 34' ' ' ILE . 1.6 t0 -70.96 -29.55 65.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.52 ' CD1' ' C ' ' A' ' 28' ' ' ALA . 1.6 mm -64.69 -56.56 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.18 76.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.4 73.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 30.0 t80 -75.37 -38.24 60.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.78 HG22 HD13 ' A' ' 85' ' ' LEU . 71.4 mt -66.57 -52.0 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 3.4 tmtt? -58.82 -49.11 78.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -60.99 -39.63 90.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.217 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -53.27 -55.74 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.845 ' CZ ' ' HB2' ' A' ' 21' ' ' ALA . 2.4 m-30 -74.26 -20.65 60.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 9.9 t0 -77.2 -18.63 57.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -52.41 -93.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.7 70.77 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' A' ' 46' ' ' PHE . 1.1 t80 -137.79 -66.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.828 HD21 HH21 ' A' ' 71' ' ' ARG . 16.4 t-20 -175.54 66.46 0.25 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.444 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.5 Cg_endo -75.01 160.72 39.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.444 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 1.4 t -96.84 152.43 18.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.364 1.04 . . . . 0.0 110.348 0.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.584 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 46.4 m95 -103.51 166.0 10.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 108.029 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 86.4 m-70 -141.34 118.38 11.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.625 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.407 ' HB2' HD12 ' A' ' 85' ' ' LEU . 7.8 t -108.72 146.13 33.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 108.374 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.623 HG22 HD21 ' A' ' 84' ' ' LEU . 12.9 mm -132.4 157.82 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.059 . . . . 0.0 109.365 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.828 HH21 HD21 ' A' ' 51' ' ' ASN . 12.5 mtp85 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.456 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 1.3 m-70 -127.0 136.43 52.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.592 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -145.49 167.02 24.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.601 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -160.59 121.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.479 ' CD2' ' O ' ' A' ' 75' ' ' TYR . 4.6 t80 -114.88 110.17 19.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.62 ' CE2' HD13 ' A' ' 78' ' ' LEU . 1.6 p90 -139.86 -179.63 6.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 12.9 t80 -101.86 122.22 43.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.631 HD22 HD13 ' A' ' 83' ' ' ILE . 3.2 tp -105.67 109.54 21.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.81 -97.34 0.41 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 111.07 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.403 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 1.2 pp0? -128.69 13.46 6.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.458 0.74 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.491 HG22 ' H ' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -129.54 -179.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.491 ' H ' HG22 ' A' ' 81' ' ' VAL . . . -106.45 162.29 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.631 HD13 HD22 ' A' ' 78' ' ' LEU . 1.1 tt -154.68 121.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.623 HD21 HG22 ' A' ' 57' ' ' ILE . 0.9 OUTLIER -123.58 101.52 7.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.533 1.145 . . . . 0.0 109.224 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.78 HD13 HG22 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -96.61 145.6 25.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 55' ' ' HIS . 25.8 p90 -160.02 149.13 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.584 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 16.0 tptm -110.38 119.43 39.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.387 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.864 HD11 HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.54 -70.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.06 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -127.54 154.01 45.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.95 -48.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 42.05 62.97 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.484 ' CG ' ' HB2' ' A' ' 18' ' ' GLN . 3.3 ptm -163.0 -173.89 3.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -89.85 146.92 24.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.595 1.184 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.3 tt0 -51.72 -20.37 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -61.83 -56.34 20.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -80.2 -35.48 36.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 111.073 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HB2' ' CG ' ' A' ' 13' ' ' MET . 16.5 tt0 -64.99 -46.53 81.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.528 ' O ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -71.35 -53.7 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 56.7 t0 -54.57 -49.69 69.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -57.52 -69.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.864 HG21 HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -43.03 -26.69 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 21' ' ' ALA . 1.4 t0 -65.75 -57.97 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' HG23 ' A' ' 42' ' ' ILE . 24.2 p -63.11 -33.12 74.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 108.277 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.859 ' O ' HD21 ' A' ' 78' ' ' LEU . . . -63.72 -72.14 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.394 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.788 ' N ' HD11 ' A' ' 78' ' ' LEU . 66.5 p -49.13 -50.52 37.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.625 1.203 . . . . 0.0 110.39 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -54.41 -47.91 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.389 1.056 . . . . 0.0 110.313 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -51.18 -53.03 38.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 78' ' ' LEU . 8.1 tt -66.37 -25.83 66.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.71 11.79 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.213 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.94 -44.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.457 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 36.4 m-85 -94.41 166.35 12.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.96 7.94 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 37' ' ' ASP . 63.4 mt -121.36 95.49 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.742 ' HG2' HG11 ' A' ' 81' ' ' VAL . 1.2 mp0 -36.82 -45.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.231 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -51.0 -50.55 58.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -70.81 -26.87 63.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 29' ' ' LEU . 4.7 mt -64.41 -65.19 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.801 ' HB1' ' SG ' ' A' ' 56' ' ' CYS . . . -58.66 -34.76 71.59 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 44' ' ' LYS . . . -65.86 -33.2 75.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 46.9 t80 -76.22 -34.72 59.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.977 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 39' ' ' ALA . 30.0 mt -66.81 -60.7 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -57.17 -51.26 70.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -57.74 -40.76 80.42 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 7.9 tp10 -58.06 -48.0 81.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.5 m-85 -75.33 -70.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.642 1.214 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.502 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.29 -41.12 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -32.92 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.537 1.148 . . . . 0.0 109.379 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 70.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.434 ' OH ' ' CG ' ' A' ' 17' ' ' MET . 1.0 OUTLIER -147.15 -69.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.9 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -176.41 74.17 0.26 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.04 160.07 40.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.492 ' O ' ' CD ' ' A' ' 87' ' ' LYS . 3.7 t -100.22 152.82 19.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.46 -0.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.438 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 41.7 m95 -104.27 159.26 15.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 107.949 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 83.9 m-70 -140.72 117.46 10.98 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.576 1.173 . . . . 0.0 109.565 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.801 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 28.0 p -122.65 157.29 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.5 mm -134.31 155.48 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.359 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 58' ' ' VAL . 7.9 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 1.8 m80 -132.19 117.65 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.584 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -138.94 158.63 43.85 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 111.079 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.579 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -160.81 118.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.887 ' HB2' HD12 ' A' ' 84' ' ' LEU . 1.2 t80 -112.32 115.32 28.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.557 1.16 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.707 ' HE2' HD13 ' A' ' 78' ' ' LEU . 1.7 p90 -144.39 -179.49 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.578 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 2.7 t80 -107.14 118.36 36.5 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.456 1.097 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.859 HD21 ' O ' ' A' ' 25' ' ' ALA . 5.8 tp -95.34 105.61 17.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.163 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.11 -80.36 0.14 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.578 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -149.02 24.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 0.789 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.742 HG11 ' HG2' ' A' ' 35' ' ' GLU . 12.0 t -135.42 149.49 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.24 142.48 30.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 2.0 tt -147.11 117.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.887 HD12 ' HB2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -123.04 109.63 14.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.749 HD12 ' HB3' ' A' ' 56' ' ' CYS . 1.3 tp -103.58 145.47 29.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 55' ' ' HIS . 48.6 p90 -160.87 143.0 12.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 53' ' ' THR . 12.2 tptp -108.1 102.02 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.408 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.402 ' HG ' ' HE1' ' A' ' 86' ' ' PHE . 89.8 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.967 HD11 HG21 ' A' ' 22' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.559 ' NZ ' ' CZ ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -94.32 -100.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.63 120.76 42.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.515 ' HB2' HG13 ' A' ' 74' ' ' ILE . . . -154.16 67.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.17 99.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 tpt -165.85 175.61 8.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 16' ' ' GLU . 14.1 t -89.85 145.88 24.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.1 tt0 -47.81 -22.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.361 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -59.19 -63.0 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.534 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 13.7 ttt -79.66 -32.6 41.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -65.02 -45.87 83.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -71.89 -52.82 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 33.5 t0 -55.6 -50.36 70.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -57.63 -70.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.967 HG21 HD11 ' A' ' 8' ' ' ILE . 1.1 p -42.51 -26.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -65.46 -57.94 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.819 ' SG ' HG23 ' A' ' 42' ' ' ILE . 30.6 p -63.48 -38.1 89.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.779 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -60.98 -72.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.62 ' HA ' HD22 ' A' ' 78' ' ' LEU . 96.7 m -48.0 -49.99 29.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -53.8 -43.97 69.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.956 ' HB1' HG23 ' A' ' 38' ' ' ILE . . . -55.84 -54.22 47.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.874 HD13 ' HB3' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -66.11 -14.22 61.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.74 4.03 47.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -130.23 -53.51 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -95.79 159.77 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.98 -27.77 7.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.601 1.188 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' ASP . 4.7 mt -81.25 84.38 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.925 ' OE2' HG11 ' A' ' 58' ' ' VAL . 11.7 tm-20 -35.21 -43.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.588 1.18 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -46.4 -51.76 14.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 4.5 t70 -71.45 -25.02 62.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.956 HG23 ' HB1' ' A' ' 28' ' ' ALA . 9.5 mt -67.74 -68.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.961 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -54.52 -38.91 67.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.86 -31.94 72.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.485 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 1.2 t80 -76.54 -33.9 58.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.961 HD12 ' HA ' ' A' ' 39' ' ' ALA . 10.4 mt -66.32 -52.46 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.422 ' CG ' ' HB2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -60.92 -48.16 83.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -59.65 -42.27 92.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.94 -46.49 84.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -74.02 -69.28 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.8 -37.64 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -31.87 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -129.62 69.05 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -142.93 -69.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -176.4 73.46 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.79 40.89 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.555 1.819 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.3 t -99.97 154.08 18.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.433 0.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 40.1 m95 -105.46 166.79 10.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 67.0 m-70 -141.34 113.98 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.67 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.691 ' HB2' HD12 ' A' ' 85' ' ' LEU . 10.7 t -110.16 145.91 36.42 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.635 1.209 . . . . 0.0 108.379 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.1 mt -134.73 157.14 40.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.925 HG11 ' OE2' ' A' ' 35' ' ' GLU . 2.6 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -119.77 110.79 17.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.6 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.635 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -134.35 162.72 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.388 1.055 . . . . 0.0 111.083 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.575 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -160.11 122.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.559 ' CZ ' ' NZ ' ' A' ' 9' ' ' LYS . 27.6 t80 -112.72 121.06 43.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.598 ' HE2' ' HB1' ' A' ' 25' ' ' ALA . 1.4 p90 -150.82 -179.61 7.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 3.4 t80 -115.75 112.94 22.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.874 ' HB3' HD13 ' A' ' 29' ' ' LEU . 20.2 mt -87.52 118.39 26.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.479 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 59.11 -83.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.436 1.085 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.432 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -147.74 35.81 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.6 t -144.66 157.12 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.395 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.35 150.08 22.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.234 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.608 HD13 HD12 ' A' ' 78' ' ' LEU . 6.0 tt -151.62 121.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.47 111.13 15.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.691 HD12 ' HB2' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -109.23 143.16 39.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 45.4 p90 -159.43 145.13 16.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.568 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -101.34 116.98 34.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.975 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.014 HD11 HG21 ' A' ' 22' ' ' VAL . 1.6 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.13 -78.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -108.32 143.77 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.35 -46.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.0 t70 46.38 66.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.07 -174.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.0 t -89.75 139.89 30.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 110.043 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 1.3 tt0 -50.06 -20.86 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.357 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -61.33 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.35 -33.96 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.4 -46.53 82.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -71.39 -46.85 59.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.369 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 13.1 t70 -58.35 -45.89 87.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.212 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -65.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.014 HG21 HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -48.21 -25.32 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -66.45 -64.79 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.7 m -54.65 -36.17 64.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.326 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.634 ' C ' HD21 ' A' ' 78' ' ' LEU . . . -61.1 -68.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.592 ' CA ' HD11 ' A' ' 78' ' ' LEU . 24.0 m -47.42 -51.61 19.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.609 1.193 . . . . 0.0 110.352 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -54.31 -38.48 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 25' ' ' ALA . . . -57.79 -56.25 24.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.065 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -66.43 -13.9 61.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.45 1.05 51.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -128.7 -46.74 1.28 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.469 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 29.7 m-85 -99.68 158.39 15.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -117.97 -6.26 10.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 mp -102.8 111.0 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.891 ' CD ' HG11 ' A' ' 58' ' ' VAL . 2.0 tm-20 -50.5 -53.23 31.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.173 . . . . 0.0 110.261 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 55.2 mttt -43.62 -50.74 7.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.338 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.6 -31.63 70.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 1.6 mm -64.71 -69.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.748 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -54.1 -31.96 53.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 36' ' ' LYS . . . -67.33 -34.48 77.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 69.4 t80 -72.46 -39.53 67.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.5 mt -67.23 -59.05 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -50.7 -51.0 53.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -62.8 -34.27 76.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -53.88 -64.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.793 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 2.6 m-85 -73.74 -49.62 24.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 4.3 t70 -39.48 -39.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.35 -69.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -146.63 71.6 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.793 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 9.2 t80 -153.4 34.59 0.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.8 70.18 0.3 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.23 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.482 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -74.95 163.06 36.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.482 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 1.1 t -102.61 159.93 15.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.457 1.098 . . . . 0.0 110.416 -0.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.653 ' CZ2' ' CD2' ' A' ' 50' ' ' TYR . 39.8 m95 -107.64 168.89 8.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.635 1.209 . . . . 0.0 107.967 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 39.9 m-70 -140.57 126.94 19.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.632 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.748 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 1.4 t -114.54 138.97 49.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 1.077 . . . . 0.0 108.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.7 mm -124.84 151.46 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.891 HG11 ' CD ' ' A' ' 35' ' ' GLU . 5.6 p . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.38 1.05 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -130.43 154.06 48.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 109.633 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.481 ' HB3' ' CB ' ' A' ' 86' ' ' PHE . 8.7 p90 -169.37 171.69 7.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 76' ' ' PHE . 1.4 tt -160.43 119.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -113.08 113.13 25.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 1.5 p90 -138.67 178.48 7.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -106.18 121.96 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.656 HD13 ' CE2' ' A' ' 76' ' ' PHE . 3.6 tp -104.6 102.46 12.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.358 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.58 -100.42 0.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.48 -10.25 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.736 . . . . 0.0 110.311 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.72 147.67 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.73 168.69 14.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.698 ' CG2' ' CZ ' ' A' ' 76' ' ' PHE . 1.6 tt -161.4 128.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -135.31 118.13 16.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.506 HD12 ' C ' ' A' ' 55' ' ' HIS . 8.1 tp -110.06 148.53 31.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 6.2 p90 -159.05 157.38 31.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.513 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 6.8 tptt -117.46 102.11 8.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.649 1.218 . . . . 0.0 110.022 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.076 HD11 HG21 ' A' ' 22' ' ' VAL . 1.7 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HE3' ' CZ ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.91 -69.62 0.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -136.0 108.63 7.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB2' HG13 ' A' ' 74' ' ' ILE . . . -156.76 57.89 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 13' ' ' MET . 1.4 m-20 -49.89 -88.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.441 ' SD ' ' CD2' ' A' ' 72' ' ' HIS . 0.0 OUTLIER 36.84 -156.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 16' ' ' GLU . 11.9 t -109.01 131.94 54.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.108 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 1.5 tt0 -45.02 -24.03 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -56.4 -65.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.222 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 18' ' ' GLN . 5.2 ppp? -78.5 -36.53 44.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.454 ' N ' ' SD ' ' A' ' 17' ' ' MET . 2.5 tt0 -60.25 -48.01 83.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.356 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -70.68 -54.05 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 14.1 t70 -50.33 -45.36 54.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.068 . . . . 0.0 109.205 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . . . -66.52 -73.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.076 HG21 HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -36.82 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.384 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' ALA . 34.8 t70 -64.65 -61.89 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.386 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 76.7 m -57.36 -29.98 64.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 108.33 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.713 ' C ' HD21 ' A' ' 78' ' ' LEU . . . -66.42 -74.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.767 ' CA ' HD11 ' A' ' 78' ' ' LEU . 6.4 t -47.29 -46.26 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 26' ' ' THR . 11.1 mm-40 -59.07 -44.28 91.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.398 1.061 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -54.67 -51.57 65.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.807 ' HA ' HD13 ' A' ' 38' ' ' ILE . 3.3 tt -65.85 -26.89 67.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.23 3.5 39.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -125.74 -42.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -107.83 161.05 15.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -115.03 -25.06 8.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' ASP . 3.3 mp -84.36 85.53 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.907 ' HG3' HG11 ' A' ' 58' ' ' VAL . 3.5 tm-20 -34.69 -45.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -45.16 -51.47 10.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.597 1.185 . . . . 0.0 109.262 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -71.9 -27.92 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.807 HD13 ' HA ' ' A' ' 29' ' ' LEU . 10.0 mt -64.99 -68.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.602 ' HB1' ' SG ' ' A' ' 56' ' ' CYS . . . -57.35 -32.64 66.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 36' ' ' LYS . . . -66.23 -33.72 76.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.504 ' CE2' ' HG3' ' A' ' 45' ' ' GLU . 39.5 t80 -74.89 -36.58 62.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 39.0 mt -68.04 -55.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -51.03 70.58 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 18.0 ttpp -63.64 -35.02 79.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.504 ' HG3' ' CE2' ' A' ' 41' ' ' TYR . 2.9 mm-40 -53.55 -58.67 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.215 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' A' ' 50' ' ' TYR . 2.9 m-85 -73.51 -43.73 59.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.634 1.209 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 52' ' ' PRO . 8.1 t0 -48.24 -31.2 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 2.9 mmmt -50.3 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -141.3 71.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.505 ' CE2' ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -155.97 44.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 111.016 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 64.08 68.48 0.83 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.518 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.99 164.24 33.77 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.475 1.776 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.521 ' O ' ' CE ' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -102.22 162.65 12.75 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 110.437 0.071 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 87' ' ' LYS . 21.1 m95 -112.97 159.69 18.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 108.035 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 53.0 m-70 -140.4 123.44 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.584 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.926 ' C ' HD12 ' A' ' 57' ' ' ILE . 15.2 p -119.59 143.56 47.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.926 HD12 ' C ' ' A' ' 56' ' ' CYS . 1.9 mp -124.68 152.37 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.907 HG11 ' HG3' ' A' ' 35' ' ' GLU . 60.2 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.374 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.441 ' CD2' ' SD ' ' A' ' 13' ' ' MET . 17.9 m170 -130.69 127.87 39.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.642 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.45 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 5.1 p90 -152.25 166.32 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.589 HG13 ' HB2' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -160.92 117.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.435 ' CZ ' ' HE3' ' A' ' 9' ' ' LYS . 4.3 t80 -112.6 115.22 28.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.633 ' HE2' HD13 ' A' ' 78' ' ' LEU . 1.9 p90 -146.32 179.44 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.531 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 4.3 t80 -106.42 120.59 42.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.767 HD11 ' CA ' ' A' ' 26' ' ' THR . 5.0 tp -96.61 111.14 23.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.86 -81.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.568 1.167 . . . . 0.0 111.065 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.531 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -147.97 34.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.243 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 78' ' ' LEU . 4.4 p -145.07 154.12 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' ' 58' ' ' VAL . . . -87.89 141.2 28.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.805 HG13 HG22 ' A' ' 58' ' ' VAL . 2.3 tt -147.53 119.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 0.7 OUTLIER -128.34 114.4 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' A' ' 56' ' ' CYS . 0.4 OUTLIER -109.44 142.5 40.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.492 ' HE2' HD13 ' A' ' 57' ' ' ILE . 46.3 p90 -154.64 160.17 41.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.576 ' HZ3' ' C ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -114.86 100.86 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.516 ' C ' ' HZ1' ' A' ' 87' ' ' LYS . 14.9 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 110.04 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.855 HD11 HG21 ' A' ' 22' ' ' VAL . 1.2 mp . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.2 -66.24 0.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -147.61 111.01 4.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' MET . . . -139.78 66.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.1 91.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -167.3 -177.75 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -89.84 146.56 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.1 OUTLIER -50.4 -20.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -60.52 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 110.264 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 1.3 mpp? -80.58 -33.77 35.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 16.1 tt0 -65.12 -45.78 83.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.563 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -72.26 -52.34 16.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 24.8 t0 -55.61 -51.04 68.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -56.07 -66.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.378 1.049 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.855 HG21 HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -48.95 -23.22 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 20' ' ' ASP . 1.2 t0 -65.89 -60.42 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.1 m -63.33 -29.82 71.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 108.348 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.707 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -64.93 -70.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.441 ' HA ' HD22 ' A' ' 78' ' ' LEU . 14.8 t -48.38 -46.28 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -59.25 -43.62 92.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.528 ' HB2' ' CE2' ' A' ' 41' ' ' TYR . . . -53.91 -52.26 61.13 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.444 1.09 . . . . 0.0 109.355 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -24.72 66.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -87.85 9.4 22.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -134.3 -44.62 0.77 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.072 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -95.62 -170.46 2.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -144.29 -45.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 37' ' ' ASP . 2.3 mp -67.56 84.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.227 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.68 ' HA ' HD12 ' A' ' 38' ' ' ILE . 3.4 mt-10 -32.55 -42.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.377 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -51.3 -53.32 37.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 34' ' ' ILE . 12.0 t0 -69.69 -25.83 64.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 35' ' ' GLU . 24.2 mt -64.74 -50.29 76.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.569 1.168 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.445 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . . . -66.0 -39.64 90.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.66 -30.47 70.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 28' ' ' ALA . 24.8 t80 -72.06 -39.44 69.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.524 HG22 HD13 ' A' ' 85' ' ' LEU . 32.4 mt -66.82 -61.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -50.27 -51.89 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.371 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' HA ' ' OD2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -61.02 -37.32 82.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -54.94 -51.43 66.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 110.302 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.595 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -75.52 -64.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.108 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -38.01 -33.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.355 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 2.2 tppp? -36.17 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -138.89 65.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.595 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 2.4 t80 -138.83 -68.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -175.54 73.2 0.28 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.437 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.15 160.46 39.63 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.69 HG23 ' NE2' ' A' ' 55' ' ' HIS . 4.9 t -99.49 156.79 16.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 0.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CE3' HD21 ' A' ' 85' ' ' LEU . 44.9 m95 -108.94 157.98 18.13 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.69 ' NE2' HG23 ' A' ' 53' ' ' THR . 17.6 m-70 -140.8 110.85 6.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.626 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 84' ' ' LEU . 4.2 t -119.65 155.0 33.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 108.185 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.603 ' H ' HD13 ' A' ' 84' ' ' LEU . 26.8 mm -135.34 164.9 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.483 ' N ' HG22 ' A' ' 57' ' ' ILE . 96.4 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -128.44 119.93 25.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 0.0 109.609 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 2.1 p90 -139.99 160.39 40.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.622 1.201 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.513 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -161.26 119.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.416 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -115.07 114.95 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.577 ' HE2' ' HB1' ' A' ' 25' ' ' ALA . 1.5 p90 -140.45 -179.68 6.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.097 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 3.7 t80 -111.31 112.53 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.099 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.778 HD12 HD13 ' A' ' 83' ' ' ILE . 18.1 mt -90.27 117.65 29.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 64.33 -84.86 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.505 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 11.1 pt20 -147.42 28.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.242 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.657 HG11 ' HG2' ' A' ' 35' ' ' GLU . 7.2 p -139.83 162.34 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.6 152.48 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.778 HD13 HD12 ' A' ' 78' ' ' LEU . 8.0 tt -152.51 121.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.308 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.978 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -117.41 122.76 44.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.718 ' N ' HD22 ' A' ' 84' ' ' LEU . 8.5 tt -122.4 128.91 51.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.361 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.744 ' HD2' HD21 ' A' ' 84' ' ' LEU . 5.6 p90 -145.85 147.96 32.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.462 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -104.08 121.54 43.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.935 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.663 HD11 HG21 ' A' ' 22' ' ' VAL . 1.8 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -89.83 -61.12 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -147.02 134.58 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.52 ' CB ' ' NE2' ' A' ' 18' ' ' GLN . . . -153.08 -47.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 13' ' ' MET . 0.4 OUTLIER 64.36 -162.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 109.253 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.538 ' CE ' ' CE1' ' A' ' 72' ' ' HIS . 1.4 ttt 76.96 -171.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.43 ' CB ' ' HG2' ' A' ' 16' ' ' GLU . 7.1 t -89.5 142.3 27.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 110.024 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -47.36 -23.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.398 1.061 . . . . 0.0 110.381 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HG2' ' CB ' ' A' ' 14' ' ' SER . 9.2 pt-20 -59.7 -52.64 64.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.414 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -79.48 -41.16 28.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 111.054 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.52 ' NE2' ' CB ' ' A' ' 11' ' ' ALA . 2.5 tp60 -61.12 -43.74 98.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -70.57 -56.58 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.222 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 38.5 t0 -50.66 -44.32 57.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' C ' ' N ' ' A' ' 23' ' ' ASP . . . -65.42 -70.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.663 HG21 HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -41.16 -29.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 8.0 t70 -65.12 -62.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 96.9 m -56.68 -29.86 62.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 108.249 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.96 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -65.84 -73.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.553 ' HA ' HD22 ' A' ' 78' ' ' LEU . 16.3 m -48.73 -50.32 34.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -54.18 -49.16 69.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -50.95 -52.6 40.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.367 1.042 . . . . 0.0 109.228 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -65.84 -22.08 66.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.24 9.36 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -132.38 -45.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.653 1.221 . . . . 0.0 109.236 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.422 ' CB ' HG12 ' A' ' 38' ' ' ILE . 43.6 m-85 -96.5 176.85 5.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -130.66 -43.61 1.11 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.43 1.081 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' A' ' 37' ' ' ASP . 2.9 mt -67.62 83.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.631 ' HA ' HD12 ' A' ' 38' ' ' ILE . 7.7 mp0 -33.79 -43.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 110.261 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.39 -51.04 49.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 34' ' ' ILE . 6.7 t70 -71.72 -24.46 61.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 35' ' ' GLU . 20.6 mt -66.02 -51.95 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.716 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -65.48 -42.34 92.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.28 -28.76 68.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.489 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 1.5 t80 -74.32 -37.24 63.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 39' ' ' ALA . 9.9 mt -66.89 -52.79 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -60.35 -49.66 76.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' HA ' ' OD1' ' A' ' 47' ' ' ASP . 15.7 ttpt -59.09 -41.26 87.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 45' ' ' GLU . 10.2 tm-20 -54.74 -52.64 61.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.19 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -73.44 -65.92 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.75 -32.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.07 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.512 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -36.09 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -132.92 66.57 1.56 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.399 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -138.99 -68.72 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 0.0 111.081 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.431 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 1.6 m120 -176.03 73.17 0.26 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.402 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.7 Cg_endo -74.92 160.3 40.56 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.57 1.826 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.402 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 3.4 t -99.61 158.23 15.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -0.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.574 ' CZ3' ' HB2' ' A' ' 87' ' ' LYS . 44.7 m95 -111.52 171.98 7.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.009 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 24.2 m-70 -140.58 112.65 7.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.463 1.102 . . . . 0.0 109.638 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.82 ' SG ' HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -102.82 133.91 47.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 1.154 . . . . 0.0 108.255 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 58' ' ' VAL . 36.3 mm -135.33 164.19 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.461 ' N ' HG22 ' A' ' 57' ' ' ILE . 2.1 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.538 ' CE1' ' CE ' ' A' ' 13' ' ' MET . 0.4 OUTLIER -123.78 111.99 16.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.559 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 12.3 p90 -124.25 161.37 25.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.415 1.072 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.575 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -159.66 105.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 1.011 ' CE2' HD22 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -107.33 104.25 13.81 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.575 ' CD1' HG12 ' A' ' 74' ' ' ILE . 2.0 p90 -133.08 -179.37 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 111.054 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 5.7 t80 -105.56 132.96 51.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.96 HD11 ' HB1' ' A' ' 25' ' ' ALA . 19.1 mt -115.58 107.68 15.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.13 -92.33 0.3 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -135.34 19.59 3.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 110.315 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.601 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 14.5 m -133.48 170.27 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.58 163.03 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.528 HG23 ' CE1' ' A' ' 76' ' ' PHE . 1.5 tp -154.9 126.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.011 HD22 ' CE2' ' A' ' 75' ' ' TYR . 27.8 tp -128.12 109.07 11.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.184 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.82 HD12 ' SG ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -111.13 122.14 47.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.355 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 6.6 p90 -142.17 140.45 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -93.01 108.81 20.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.907 HD11 HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -90.25 -90.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.602 1.189 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -112.47 108.32 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.025 ' CB ' HD13 ' A' ' 74' ' ' ILE . . . -132.12 -55.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.488 ' O ' ' C ' ' A' ' 13' ' ' MET . 1.0 OUTLIER 54.46 -96.01 0.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.561 ' HG2' ' CE1' ' A' ' 72' ' ' HIS . 2.5 tpt 30.52 -146.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.461 ' C ' ' N ' ' A' ' 16' ' ' GLU . 7.2 t -119.54 137.13 54.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 8.8 tt0 -41.24 -25.94 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.479 1.112 . . . . 0.0 110.198 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 14' ' ' SER . 2.3 mt-10 -60.68 -54.99 38.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.509 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.6 mpt? -81.57 -35.15 30.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' O ' HG12 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -66.3 -46.61 76.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.363 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -70.88 -47.1 61.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 9.3 t0 -61.75 -44.76 96.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -64.95 -64.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.907 HG21 HD11 ' A' ' 8' ' ' ILE . 3.1 p -51.24 -24.62 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -65.98 -65.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 m -58.57 -30.12 66.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 108.308 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.831 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -65.15 -73.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.551 ' HA ' HD22 ' A' ' 78' ' ' LEU . 1.1 m -47.65 -42.19 23.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 110.493 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.7 -41.72 99.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.491 ' C ' ' CD1' ' A' ' 38' ' ' ILE . . . -54.5 -50.9 66.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 78' ' ' LEU . 5.4 tt -65.45 -18.21 65.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.53 8.26 44.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -130.12 -46.39 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.469 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 26.2 m-85 -106.05 160.4 15.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -114.78 -12.07 12.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.96 105.61 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.788 ' HG3' HG21 ' A' ' 81' ' ' VAL . 3.3 mm-40 -51.01 -47.11 61.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -50.72 -45.5 58.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 5.1 t0 -74.98 -24.32 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.491 ' CD1' ' C ' ' A' ' 28' ' ' ALA . 1.6 mm -68.11 -63.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.972 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -60.89 -38.03 84.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 36' ' ' LYS . . . -66.76 -31.1 71.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 11.5 t80 -75.83 -36.75 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.972 HD12 ' HA ' ' A' ' 39' ' ' ALA . 6.9 mt -65.3 -51.26 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -60.65 -47.77 84.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -59.35 -42.07 90.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' C ' ' CD ' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -56.43 -48.12 77.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.472 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.8 m-85 -74.26 -70.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.071 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.477 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -34.63 -38.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -33.08 -79.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -134.56 66.7 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -139.78 -69.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.404 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 18.2 t-20 -176.86 73.67 0.24 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.152 . . . . 0.0 109.236 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.442 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -74.97 160.44 40.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.468 1.773 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.455 ' O ' ' CD ' ' A' ' 87' ' ' LYS . 9.7 t -99.56 155.45 17.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 -0.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.507 ' CZ3' ' HB3' ' A' ' 72' ' ' HIS . 45.8 m95 -107.92 168.81 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 107.998 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 38.6 m-70 -140.5 116.73 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.68 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.963 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 t -113.42 137.35 51.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.963 HD12 ' C ' ' A' ' 56' ' ' CYS . 2.1 mp -130.3 150.73 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 82' ' ' ALA . 21.4 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 13' ' ' MET . 3.8 t-80 -114.85 112.71 23.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.63 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -140.69 150.56 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.961 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 1.025 HD13 ' CB ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -161.85 115.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.822 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.2 t80 -111.28 120.72 43.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 1.4 p90 -142.53 -179.61 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.587 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 4.5 t80 -110.9 117.06 32.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.831 HD11 ' HB1' ' A' ' 25' ' ' ALA . 15.1 mt -92.8 116.48 29.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.386 1.053 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.41 -81.37 0.01 OUTLIER Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.432 1.082 . . . . 0.0 111.003 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.587 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 4.6 mt-30 -149.43 36.89 0.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.788 HG21 ' HG3' ' A' ' 35' ' ' GLU . 7.1 p -145.15 160.04 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.62 1.2 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.588 ' O ' HG13 ' A' ' 58' ' ' VAL . . . -93.67 144.85 25.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.618 HD13 HD12 ' A' ' 78' ' ' LEU . 5.6 tt -149.53 117.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.22 118.26 30.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.39 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 56' ' ' CYS . 1.1 tp -114.81 134.26 55.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.172 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 45.4 p90 -153.82 148.61 26.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 53' ' ' THR . 3.4 tptt -112.97 112.1 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.986 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.881 HD11 HG21 ' A' ' 22' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -77.12 0.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.442 1.089 . . . . 0.0 109.214 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -138.24 124.81 20.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.247 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.468 ' CB ' HG13 ' A' ' 74' ' ' ILE . . . -162.84 89.15 0.64 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -63.64 95.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.421 ' HE1' ' CB ' ' A' ' 17' ' ' MET . 2.0 ttt -165.69 179.35 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 111.035 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.428 ' C ' ' N ' ' A' ' 16' ' ' GLU . 45.1 t -93.29 140.58 29.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.0 tt0 -45.42 -23.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.7 tm-20 -59.11 -59.85 4.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.421 ' CB ' ' HE1' ' A' ' 13' ' ' MET . 5.2 mmt -80.19 -36.57 34.75 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -62.46 -47.9 82.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.237 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -71.27 -48.27 51.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 12.5 t70 -55.76 -44.68 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 23' ' ' ASP . . . -67.69 -73.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.203 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.961 HG23 ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -41.0 -30.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.384 1.053 . . . . 0.0 109.23 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 7.2 t70 -66.71 -57.99 6.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.613 1.196 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.2 m -53.9 -48.62 69.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 108.206 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.999 ' O ' HD11 ' A' ' 78' ' ' LEU . . . -58.41 -49.13 78.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -50.17 -59.94 3.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 110.354 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -59.78 -35.01 73.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.228 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 25' ' ' ALA . . . -51.19 -58.82 5.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.657 ' HB2' HD12 ' A' ' 78' ' ' LEU . 6.9 tt -66.28 -31.93 73.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -70.13 -6.86 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.68 -39.74 2.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -100.2 -171.8 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -142.28 -44.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 37' ' ' ASP . 7.6 mt -67.33 86.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.926 ' HG2' HG21 ' A' ' 81' ' ' VAL . 2.6 mt-10 -34.42 -41.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -51.69 -53.95 33.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -67.31 -28.93 68.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.217 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 29' ' ' LEU . 13.0 mt -63.77 -47.13 92.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -65.94 -39.31 90.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.3 -31.08 71.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.24 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -71.85 -38.72 70.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.903 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 39' ' ' ALA . 24.9 mt -65.65 -54.1 31.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -54.49 -47.12 73.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.22 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 18.5 ttmm -63.8 -38.39 90.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -56.97 12.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -72.71 -44.45 61.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 52' ' ' PRO . 0.8 OUTLIER -50.28 -26.33 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.243 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -44.11 -86.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.227 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.24 70.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -137.15 -69.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.41 ' O ' ' HD3' ' A' ' 87' ' ' LYS . 5.0 t-20 -177.49 70.84 0.22 Allowed Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HG3' ' O ' ' A' ' 47' ' ' ASP . 18.4 Cg_endo -75.0 159.56 41.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.4 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 8.5 t -98.75 152.8 19.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 110.438 0.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.515 ' CE3' HD21 ' A' ' 85' ' ' LEU . 40.8 m95 -104.22 169.5 8.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 93.2 m-70 -140.63 116.88 10.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.639 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.758 ' HB2' HD12 ' A' ' 85' ' ' LEU . 10.4 t -112.65 143.27 44.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 108.318 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.9 mm -130.23 151.67 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 35' ' ' GLU . 3.7 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.207 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 30.9 m-70 -140.19 117.62 11.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.65 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -128.18 166.97 17.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 111.042 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.597 HG12 ' CD1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -160.5 121.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.241 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -113.85 119.14 36.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 111.071 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.961 ' CD2' HG23 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -152.21 -179.87 7.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 8.9 t80 -99.76 125.97 45.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.999 HD11 ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -107.87 112.79 25.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.465 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 66.24 -91.63 0.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.519 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -138.03 24.14 2.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 0.786 . . . . 0.0 110.327 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.926 HG21 ' HG2' ' A' ' 35' ' ' GLU . 33.0 m -141.17 178.09 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -97.04 157.38 15.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.409 HG23 ' CE1' ' A' ' 76' ' ' PHE . 2.5 tt -154.01 122.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.44 120.7 28.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.758 HD12 ' HB2' ' A' ' 56' ' ' CYS . 0.7 OUTLIER -118.16 151.07 38.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 55' ' ' HIS . 33.0 p90 -159.19 147.56 17.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.062 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.418 ' HE2' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -99.03 102.95 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.418 ' N ' ' HE2' ' A' ' 87' ' ' LYS . 43.1 t . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.406 0.146 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -95.06 82.43 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 110.009 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.51 -167.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -143.46 -86.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.13 -154.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.66 116.38 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.528 ' C ' HD12 ' A' ' 8' ' ' ILE . 61.1 t -74.74 165.49 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.537 HD11 HG21 ' A' ' 22' ' ' VAL . 1.2 mp -137.98 126.06 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HD2' ' CZ ' ' A' ' 75' ' ' TYR . 3.3 mttm -89.85 -84.06 0.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -111.75 141.88 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.208 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -144.68 -48.62 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 109.253 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 43.72 73.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttm -168.47 -177.17 3.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 16' ' ' GLU . 22.7 t -89.69 139.97 30.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.7 OUTLIER -48.76 -21.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 14' ' ' SER . 34.1 mm-40 -59.93 -64.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 0.0 110.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.516 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 7.4 mmt -79.67 -30.71 41.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 1.3 tm0? -66.77 -47.47 72.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.545 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -71.21 -46.55 60.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -61.28 -45.47 94.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -63.18 -61.48 2.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -53.22 -26.04 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -64.0 -63.24 1.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.629 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 22.9 m -59.33 -26.67 65.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 108.342 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.786 ' C ' HD21 ' A' ' 78' ' ' LEU . . . -65.68 -72.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.641 ' N ' HD11 ' A' ' 78' ' ' LEU . 11.0 t -50.11 -51.49 42.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.405 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.476 ' N ' HG23 ' A' ' 26' ' ' THR . 3.9 mm-40 -54.83 -47.38 74.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.629 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -51.61 -53.32 39.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.906 ' HA ' HD13 ' A' ' 38' ' ' ILE . 3.4 tt -65.64 -26.99 68.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.83 3.57 33.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.25 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -126.17 -41.76 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CB ' HG12 ' A' ' 38' ' ' ILE . 5.6 m-85 -102.28 162.59 12.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -116.44 -28.13 6.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.51 ' O ' ' N ' ' A' ' 37' ' ' ASP . 4.5 mp -79.87 86.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.502 ' HG2' HG21 ' A' ' 81' ' ' VAL . 1.1 mt-10 -37.04 -52.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -45.41 15.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 34' ' ' ILE . 5.9 t70 -74.56 -27.56 60.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.906 HD13 ' HA ' ' A' ' 29' ' ' LEU . 19.6 mt -64.85 -56.45 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.847 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -64.02 -38.32 90.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.245 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.16 -30.27 70.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.476 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 2.9 t80 -75.94 -34.66 59.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.847 HD12 ' HA ' ' A' ' 39' ' ' ALA . 10.4 mt -67.8 -55.5 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -49.8 76.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HA ' ' OD1' ' A' ' 47' ' ' ASP . 8.0 ttpp -59.84 -42.32 93.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.476 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 6.3 tp10 -55.76 -48.46 75.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' LYS . 1.1 m-85 -75.26 -68.65 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.05 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -35.89 -33.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -34.99 -77.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -133.12 66.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.433 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 1.2 t80 -141.79 -67.69 0.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 5.7 t30 -176.05 72.59 0.26 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.41 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.0 Cg_endo -75.01 158.79 41.96 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.519 1.8 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.571 HG23 ' NE2' ' A' ' 55' ' ' HIS . 5.0 t -99.78 151.47 21.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 0.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.532 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 41.3 m95 -102.11 149.55 24.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 13.2 m170 -125.82 117.02 22.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.477 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 19.6 p -117.55 152.43 35.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 108.287 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.8 mm -135.28 147.81 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -132.57 94.91 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.94 -96.79 1.05 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.397 1.061 . . . . 0.0 110.95 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.09 -42.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 110.326 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -147.64 147.42 29.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.648 ' HB2' HD13 ' A' ' 84' ' ' LEU . 1.8 m-85 -137.8 99.26 3.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -119.29 97.37 0.68 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -141.16 -80.32 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.556 0.798 . . . . 0.0 109.983 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.579 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 3.2 t80 57.81 -76.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 66' ' ' VAL . 10.0 p -79.56 54.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 m -155.44 -65.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.47 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' GLU . 6.7 m-70 -113.41 43.39 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -35.96 152.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.456 HG21 ' CD2' ' A' ' 86' ' ' PHE . 10.4 p -138.69 -145.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -64.21 1.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.42 120.02 27.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.535 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.5 p90 -141.07 162.52 35.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.584 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -160.79 119.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.223 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.834 ' HB2' HD12 ' A' ' 84' ' ' LEU . 1.5 t80 -113.11 115.66 28.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.69 ' HE2' HD13 ' A' ' 78' ' ' LEU . 1.7 p90 -146.16 178.2 8.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 111.007 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 5.4 t80 -103.82 117.14 33.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.786 HD21 ' C ' ' A' ' 25' ' ' ALA . 5.1 tp -97.88 117.84 33.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.408 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 63.48 -83.87 0.05 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.579 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -148.14 28.54 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.33 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.594 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 20.0 m -140.48 169.65 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.35 150.84 21.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.6 tt -151.15 117.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.834 HD12 ' HB2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -119.9 103.4 9.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.481 HD21 ' CE3' ' A' ' 54' ' ' TRP . 5.9 tt -100.54 143.54 30.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.358 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 41.1 p90 -160.57 142.88 12.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.532 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 8.5 tptp -99.49 111.72 24.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.528 ' O ' ' CE1' ' A' ' 55' ' ' HIS . 37.2 t -130.53 127.2 38.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.578 1.174 . . . . 0.0 110.979 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mtt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.529 0.204 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.94 133.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -159.49 0.05 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.557 1.161 . . . . 0.0 109.235 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -143.23 -70.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.371 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.54 -166.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.484 ' HB2' ' OG1' ' A' ' 26' ' ' THR . . . -64.76 89.2 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.819 HG23 ' HB3' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -40.15 159.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.613 HD11 HG21 ' A' ' 22' ' ' VAL . 1.2 mp -136.2 149.77 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' CE ' ' OH ' ' A' ' 75' ' ' TYR . 2.5 mtmm -111.0 -75.1 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -128.03 143.93 51.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.18 -58.72 0.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 t0 55.69 81.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 73' ' ' PHE . 3.1 ttm -170.29 -169.17 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.435 ' C ' ' N ' ' A' ' 16' ' ' GLU . 5.3 t -94.58 127.64 40.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -40.71 -27.87 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.243 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -53.68 -67.12 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.302 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.406 ' SD ' ' SD ' ' A' ' 13' ' ' MET . 12.8 ptp -78.17 -40.13 38.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 1.4 tm0? -55.47 -47.46 76.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.536 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 1.1 tm0? -71.56 -48.02 51.15 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.389 1.056 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 44.0 t0 -51.37 -47.53 62.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.845 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . . . -67.87 -71.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.236 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.613 HG21 HD11 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -37.21 -34.38 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.518 ' O ' HG22 ' A' ' 26' ' ' THR . 24.2 t0 -65.3 -59.46 4.02 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . 97.3 m -54.95 -31.35 60.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB1' ' CD2' ' A' ' 78' ' ' LEU . . . -65.75 -68.96 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.585 ' N ' HD11 ' A' ' 78' ' ' LEU . 8.1 t -48.7 -40.44 28.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -64.45 -38.89 92.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.52 ' C ' ' CD1' ' A' ' 38' ' ' ILE . . . -59.04 -51.96 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.497 HD22 HD12 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -65.58 -12.61 54.6 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.079 . . . . 0.0 109.245 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -102.72 -1.65 29.6 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -120.4 -48.93 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.46 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 19.5 m-85 -96.96 166.57 11.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.593 1.183 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -125.74 10.28 7.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.414 1.071 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.604 HG22 ' H ' ' A' ' 37' ' ' ASP . 5.1 mp -119.57 108.91 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' HB ' ' A' ' 38' ' ' ILE . 3.6 mt-10 -50.25 -53.38 28.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -46.2 57.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.412 1.07 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.604 ' H ' HG22 ' A' ' 34' ' ' ILE . 1.6 t0 -70.96 -29.55 65.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.52 ' CD1' ' C ' ' A' ' 28' ' ' ALA . 1.6 mm -64.69 -56.56 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.18 76.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.4 73.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 30.0 t80 -75.37 -38.24 60.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.78 HG22 HD13 ' A' ' 85' ' ' LEU . 71.4 mt -66.57 -52.0 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 3.4 tmtt? -58.82 -49.11 78.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -60.99 -39.63 90.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.217 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -53.27 -55.74 22.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.234 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.845 ' CZ ' ' HB2' ' A' ' 21' ' ' ALA . 2.4 m-30 -74.26 -20.65 60.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 9.9 t0 -77.2 -18.63 57.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -52.41 -93.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.7 70.77 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' A' ' 46' ' ' PHE . 1.1 t80 -137.79 -66.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.828 HD21 HH21 ' A' ' 71' ' ' ARG . 16.4 t-20 -175.54 66.46 0.25 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.444 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.5 Cg_endo -75.01 160.72 39.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.444 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 1.4 t -96.84 152.43 18.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.364 1.04 . . . . 0.0 110.348 0.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.584 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 46.4 m95 -103.51 166.0 10.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 108.029 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 86.4 m-70 -141.34 118.38 11.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.625 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.407 ' HB2' HD12 ' A' ' 85' ' ' LEU . 7.8 t -108.72 146.13 33.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 108.374 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.623 HG22 HD21 ' A' ' 84' ' ' LEU . 12.9 mm -132.4 157.82 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.584 HG22 ' H ' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -136.16 -177.82 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.059 . . . . 0.0 109.365 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.584 ' H ' HG22 ' A' ' 58' ' ' VAL . . . 131.92 -92.95 0.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.585 1.178 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.63 -43.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 110.313 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -137.75 -166.84 2.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.882 ' CD1' HD13 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -104.13 -142.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 111.05 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.02 -16.18 1.74 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.0 m -113.14 86.27 2.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 109.959 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.527 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 48.3 p90 -160.34 -43.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.527 ' HB ' ' CE2' ' A' ' 65' ' ' TYR . 8.8 p -89.85 44.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.1 m -153.64 -53.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -110.16 -27.73 9.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.639 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 64.91 162.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 71' ' ' ARG . 46.0 p -144.45 126.37 15.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 110.372 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.828 HH21 HD21 ' A' ' 51' ' ' ASN . 12.5 mtp85 -32.86 -70.47 0.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.456 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 1.3 m-70 -127.0 136.43 52.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.592 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -145.49 167.02 24.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.601 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -160.59 121.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.479 ' CD2' ' O ' ' A' ' 75' ' ' TYR . 4.6 t80 -114.88 110.17 19.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.62 ' CE2' HD13 ' A' ' 78' ' ' LEU . 1.6 p90 -139.86 -179.63 6.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.819 ' HB3' HG23 ' A' ' 7' ' ' VAL . 12.9 t80 -101.86 122.22 43.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.631 HD22 HD13 ' A' ' 83' ' ' ILE . 3.2 tp -105.67 109.54 21.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.81 -97.34 0.41 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 111.07 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.403 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 1.2 pp0? -128.69 13.46 6.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.458 0.74 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.491 HG22 ' H ' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -129.54 -179.26 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.491 ' H ' HG22 ' A' ' 81' ' ' VAL . . . -106.45 162.29 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.631 HD13 HD22 ' A' ' 78' ' ' LEU . 1.1 tt -154.68 121.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.882 HD13 ' CD1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -123.58 101.52 7.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.533 1.145 . . . . 0.0 109.224 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.78 HD13 HG22 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -96.61 145.6 25.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 55' ' ' HIS . 25.8 p90 -160.02 149.13 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.584 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 16.0 tptm -110.38 119.43 39.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.387 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.4 t -130.11 85.22 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.506 0.194 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -101.96 -147.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.947 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 50.31 -155.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.417 ' HA ' ' CG2' ' A' ' 7' ' ' VAL . 51.7 mtp180 -139.71 15.86 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.221 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -67.73 106.21 2.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 5' ' ' LYS . . . 70.18 -71.24 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 8' ' ' ILE . 21.2 t 69.61 168.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.864 HD11 HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -146.29 134.79 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.54 -70.25 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.06 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -127.54 154.01 45.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.95 -48.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 42.05 62.97 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.484 ' CG ' ' HB2' ' A' ' 18' ' ' GLN . 3.3 ptm -163.0 -173.89 3.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -89.85 146.92 24.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.595 1.184 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.3 tt0 -51.72 -20.37 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 110.305 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -61.83 -56.34 20.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.53 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -80.2 -35.48 36.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 111.073 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HB2' ' CG ' ' A' ' 13' ' ' MET . 16.5 tt0 -64.99 -46.53 81.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.528 ' O ' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -71.35 -53.7 13.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 56.7 t0 -54.57 -49.69 69.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -57.52 -69.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.864 HG21 HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -43.03 -26.69 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.444 ' N ' ' C ' ' A' ' 21' ' ' ALA . 1.4 t0 -65.75 -57.97 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' HG23 ' A' ' 42' ' ' ILE . 24.2 p -63.11 -33.12 74.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 108.277 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.859 ' O ' HD21 ' A' ' 78' ' ' LEU . . . -63.72 -72.14 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.394 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.788 ' N ' HD11 ' A' ' 78' ' ' LEU . 66.5 p -49.13 -50.52 37.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.625 1.203 . . . . 0.0 110.39 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -54.41 -47.91 72.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.389 1.056 . . . . 0.0 110.313 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -51.18 -53.03 38.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 78' ' ' LEU . 8.1 tt -66.37 -25.83 66.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.71 11.79 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.213 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.94 -44.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.457 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 36.4 m-85 -94.41 166.35 12.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.967 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.96 7.94 4.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 37' ' ' ASP . 63.4 mt -121.36 95.49 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.742 ' HG2' HG11 ' A' ' 81' ' ' VAL . 1.2 mp0 -36.82 -45.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.231 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -51.0 -50.55 58.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -70.81 -26.87 63.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 29' ' ' LEU . 4.7 mt -64.41 -65.19 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.801 ' HB1' ' SG ' ' A' ' 56' ' ' CYS . . . -58.66 -34.76 71.59 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 44' ' ' LYS . . . -65.86 -33.2 75.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 46.9 t80 -76.22 -34.72 59.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.977 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 39' ' ' ALA . 30.0 mt -66.81 -60.7 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -57.17 -51.26 70.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -57.74 -40.76 80.42 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 41' ' ' TYR . 7.9 tp10 -58.06 -48.0 81.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.359 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.5 m-85 -75.33 -70.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.642 1.214 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.502 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.29 -41.12 0.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -32.92 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.537 1.148 . . . . 0.0 109.379 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 70.97 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.434 ' OH ' ' CG ' ' A' ' 17' ' ' MET . 1.0 OUTLIER -147.15 -69.77 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.9 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -176.41 74.17 0.26 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.04 160.07 40.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.492 ' O ' ' CD ' ' A' ' 87' ' ' LYS . 3.7 t -100.22 152.82 19.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.46 -0.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.438 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 41.7 m95 -104.27 159.26 15.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 107.949 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 83.9 m-70 -140.72 117.46 10.98 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.576 1.173 . . . . 0.0 109.565 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.801 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 28.0 p -122.65 157.29 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.5 mm -134.31 155.48 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.359 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 58' ' ' VAL . 7.9 p -121.87 78.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.531 ' O ' ' HB3' ' A' ' 82' ' ' ALA . . . -118.36 -112.24 2.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HA ' ' CB ' ' A' ' 82' ' ' ALA . 4.3 mtm-85 -155.16 -42.95 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.346 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -149.2 156.05 41.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 84' ' ' LEU . 9.9 m-85 -141.78 -151.44 0.36 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.527 1.142 . . . . 0.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -170.7 -129.37 1.11 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.555 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER 70.03 -85.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.798 . . . . 0.0 109.96 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.546 ' CG ' ' N ' ' A' ' 66' ' ' VAL . 8.5 t80 34.61 -90.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' A' ' 64' ' ' SER . 7.7 p -83.74 51.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.9 m -153.49 -57.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 69' ' ' GLU . 1.3 m170 -94.83 -37.18 11.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 109.589 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' C ' ' CG2' ' A' ' 70' ' ' THR . 38.6 mt-10 58.26 154.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.491 ' OG1' ' CD1' ' A' ' 73' ' ' PHE . 25.3 p -150.17 -144.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? -119.1 -66.69 1.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 110.332 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 1.8 m80 -132.19 117.65 18.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.584 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -138.94 158.63 43.85 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 111.079 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.579 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -160.81 118.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.887 ' HB2' HD12 ' A' ' 84' ' ' LEU . 1.2 t80 -112.32 115.32 28.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.557 1.16 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.707 ' HE2' HD13 ' A' ' 78' ' ' LEU . 1.7 p90 -144.39 -179.49 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.578 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 2.7 t80 -107.14 118.36 36.5 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.456 1.097 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.859 HD21 ' O ' ' A' ' 25' ' ' ALA . 5.8 tp -95.34 105.61 17.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.163 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.11 -80.36 0.14 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.578 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -149.02 24.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 0.789 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.742 HG11 ' HG2' ' A' ' 35' ' ' GLU . 12.0 t -135.42 149.49 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 59' ' ' GLY . . . -84.24 142.48 30.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' A' ' 83' ' ' ILE . 2.0 tt -147.11 117.75 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.887 HD12 ' HB2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -123.04 109.63 14.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.749 HD12 ' HB3' ' A' ' 56' ' ' CYS . 1.3 tp -103.58 145.47 29.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 55' ' ' HIS . 48.6 p90 -160.87 143.0 12.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 53' ' ' THR . 12.2 tptp -108.1 102.02 11.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.408 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.402 ' HG ' ' HE1' ' A' ' 86' ' ' PHE . 89.8 p -132.34 113.31 13.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.546 1.154 . . . . 0.0 110.891 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.0 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.486 0.184 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -153.76 75.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.007 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.63 102.56 14.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -143.37 30.89 1.36 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.418 1.073 . . . . 0.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.17 167.31 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.517 ' HB2' ' CG2' ' A' ' 26' ' ' THR . . . -65.59 101.36 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 8' ' ' ILE . 68.6 t -84.29 165.28 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.967 HD11 HG21 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -142.61 137.55 28.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.256 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.559 ' NZ ' ' CZ ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -94.32 -100.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.63 120.76 42.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.515 ' HB2' HG13 ' A' ' 74' ' ' ILE . . . -154.16 67.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.17 99.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 tpt -165.85 175.61 8.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 16' ' ' GLU . 14.1 t -89.85 145.88 24.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.1 tt0 -47.81 -22.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.361 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.6 OUTLIER -59.19 -63.0 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.268 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.534 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 13.7 ttt -79.66 -32.6 41.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 110.917 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -65.02 -45.87 83.7 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.555 1.159 . . . . 0.0 110.338 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -71.89 -52.82 15.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 33.5 t0 -55.6 -50.36 70.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -57.63 -70.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.967 HG21 HD11 ' A' ' 8' ' ' ILE . 1.1 p -42.51 -26.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -65.46 -57.94 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.819 ' SG ' HG23 ' A' ' 42' ' ' ILE . 30.6 p -63.48 -38.1 89.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 108.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.779 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -60.98 -72.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.62 ' HA ' HD22 ' A' ' 78' ' ' LEU . 96.7 m -48.0 -49.99 29.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.415 1.072 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -53.8 -43.97 69.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.956 ' HB1' HG23 ' A' ' 38' ' ' ILE . . . -55.84 -54.22 47.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.874 HD13 ' HB3' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -66.11 -14.22 61.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.223 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.74 4.03 47.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -130.23 -53.51 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -95.79 159.77 14.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.98 -27.77 7.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.601 1.188 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 37' ' ' ASP . 4.7 mt -81.25 84.38 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.925 ' OE2' HG11 ' A' ' 58' ' ' VAL . 11.7 tm-20 -35.21 -43.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.588 1.18 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -46.4 -51.76 14.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 4.5 t70 -71.45 -25.02 62.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.956 HG23 ' HB1' ' A' ' 28' ' ' ALA . 9.5 mt -67.74 -68.39 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.961 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -54.52 -38.91 67.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.86 -31.94 72.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.485 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 1.2 t80 -76.54 -33.9 58.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.961 HD12 ' HA ' ' A' ' 39' ' ' ALA . 10.4 mt -66.32 -52.46 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' CG ' ' HB2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -60.92 -48.16 83.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -59.65 -42.27 92.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.94 -46.49 84.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.589 1.18 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' ASP . 0.9 OUTLIER -74.02 -69.28 0.45 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.505 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.8 -37.64 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -31.87 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -129.62 69.05 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -142.93 -69.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -176.4 73.46 0.25 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.399 1.062 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.79 40.89 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.555 1.819 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.3 t -99.97 154.08 18.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.433 0.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 87' ' ' LYS . 40.1 m95 -105.46 166.79 10.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.021 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 67.0 m-70 -141.34 113.98 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.67 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.691 ' HB2' HD12 ' A' ' 85' ' ' LEU . 10.7 t -110.16 145.91 36.42 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.635 1.209 . . . . 0.0 108.379 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.1 mt -134.73 157.14 40.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.925 HG11 ' OE2' ' A' ' 35' ' ' GLU . 2.6 p -134.06 95.11 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.1 -94.25 0.6 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.28 -42.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.289 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -110.06 -168.79 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.865 ' CB ' HD13 ' A' ' 84' ' ' LEU . 3.3 p90 -113.05 72.66 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' PHE . . . 37.3 -143.15 0.2 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.592 1.182 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 66' ' ' VAL . 48.7 m -89.81 -42.8 11.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.619 ' CG ' ' N ' ' A' ' 66' ' ' VAL . 0.6 OUTLIER 60.68 -71.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 111.007 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.619 ' N ' ' CG ' ' A' ' 65' ' ' TYR . 7.9 p -78.84 56.83 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -154.5 -60.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 69' ' ' GLU . 14.1 t60 -103.53 -34.39 8.69 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.539 1.15 . . . . 0.0 109.615 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 68' ' ' HIS . 3.1 mt-10 59.19 152.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.561 ' OG1' ' CD1' ' A' ' 73' ' ' PHE . 66.7 p -129.56 -146.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.364 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -111.27 -71.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -119.77 110.79 17.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.6 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.635 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -134.35 162.72 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.388 1.055 . . . . 0.0 111.083 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.575 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -160.11 122.19 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.559 ' CZ ' ' NZ ' ' A' ' 9' ' ' LYS . 27.6 t80 -112.72 121.06 43.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.598 ' HE2' ' HB1' ' A' ' 25' ' ' ALA . 1.4 p90 -150.82 -179.61 7.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 3.4 t80 -115.75 112.94 22.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.874 ' HB3' HD13 ' A' ' 29' ' ' LEU . 20.2 mt -87.52 118.39 26.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.479 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 59.11 -83.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.436 1.085 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.432 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -147.74 35.81 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.6 t -144.66 157.12 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.395 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.35 150.08 22.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.234 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.608 HD13 HD12 ' A' ' 78' ' ' LEU . 6.0 tt -151.62 121.27 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.865 HD13 ' CB ' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -123.47 111.13 15.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.691 HD12 ' HB2' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -109.23 143.16 39.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 45.4 p90 -159.43 145.13 16.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.568 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 0.1 OUTLIER -101.34 116.98 34.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 p -135.97 113.8 11.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.526 0.203 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.63 91.0 3.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.948 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -85.78 -173.98 4.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.88 -93.73 0.12 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.45 1.093 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.29 77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.17 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.7 96.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.8 t -117.66 146.22 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 109.274 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.014 HD11 HG21 ' A' ' 22' ' ' VAL . 1.6 mt -128.47 128.71 68.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.216 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.13 -78.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -108.32 143.77 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.35 -46.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.0 t70 46.38 66.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.07 -174.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.0 t -89.75 139.89 30.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 0.0 110.043 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 1.3 tt0 -50.06 -20.86 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.357 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -61.33 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -79.35 -33.96 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.4 -46.53 82.89 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -71.39 -46.85 59.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 110.369 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 13.1 t70 -58.35 -45.89 87.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.212 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -65.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.014 HG21 HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -48.21 -25.32 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.4 OUTLIER -66.45 -64.79 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.7 m -54.65 -36.17 64.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.326 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.634 ' C ' HD21 ' A' ' 78' ' ' LEU . . . -61.1 -68.45 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.592 ' CA ' HD11 ' A' ' 78' ' ' LEU . 24.0 m -47.42 -51.61 19.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.609 1.193 . . . . 0.0 110.352 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -54.31 -38.48 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 25' ' ' ALA . . . -57.79 -56.25 24.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.065 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -66.43 -13.9 61.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.45 1.05 51.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -128.7 -46.74 1.28 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.469 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 29.7 m-85 -99.68 158.39 15.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -117.97 -6.26 10.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 mp -102.8 111.0 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.891 ' CD ' HG11 ' A' ' 58' ' ' VAL . 2.0 tm-20 -50.5 -53.23 31.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.173 . . . . 0.0 110.261 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 55.2 mttt -43.62 -50.74 7.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.338 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.6 -31.63 70.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 1.6 mm -64.71 -69.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.748 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -54.1 -31.96 53.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 36' ' ' LYS . . . -67.33 -34.48 77.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 69.4 t80 -72.46 -39.53 67.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.5 mt -67.23 -59.05 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -50.7 -51.0 53.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -62.8 -34.27 76.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -53.88 -64.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.793 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 2.6 m-85 -73.74 -49.62 24.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 43' ' ' LYS . 4.3 t70 -39.48 -39.79 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.35 -69.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -146.63 71.6 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.793 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 9.2 t80 -153.4 34.59 0.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.8 70.18 0.3 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.23 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.482 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -74.95 163.06 36.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.482 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 1.1 t -102.61 159.93 15.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.457 1.098 . . . . 0.0 110.416 -0.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.653 ' CZ2' ' CD2' ' A' ' 50' ' ' TYR . 39.8 m95 -107.64 168.89 8.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.635 1.209 . . . . 0.0 107.967 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 39.9 m-70 -140.57 126.94 19.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.632 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.748 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 1.4 t -114.54 138.97 49.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 1.077 . . . . 0.0 108.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.7 mm -124.84 151.46 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.891 HG11 ' CD ' ' A' ' 35' ' ' GLU . 5.6 p -135.13 99.79 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.38 1.05 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.51 -97.74 0.26 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.564 1.165 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -155.91 -43.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 110.359 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.25 -166.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CE1' ' CD2' ' A' ' 75' ' ' TYR . 4.3 m-85 -86.31 -142.77 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -143.57 -141.46 3.81 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -54.47 -57.34 11.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 0.734 . . . . 0.0 110.038 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 62' ' ' PHE . 0.2 OUTLIER 64.03 -73.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.437 1.086 . . . . 0.0 110.961 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.554 ' O ' HG22 ' A' ' 66' ' ' VAL . 5.0 p -81.0 55.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.8 m -152.73 -67.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.088 . . . . 0.0 110.395 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -26.05 16.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.634 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' C ' ' CG2' ' A' ' 70' ' ' THR . 8.8 mt-10 63.26 166.08 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.578 ' OG1' ' CD1' ' A' ' 73' ' ' PHE . 31.2 p -150.14 118.67 6.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 70' ' ' THR . 2.1 mmm180 -35.98 -66.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -130.43 154.06 48.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 109.633 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD1' ' OG1' ' A' ' 70' ' ' THR . 8.7 p90 -169.37 171.69 7.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 76' ' ' PHE . 1.4 tt -160.43 119.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.568 ' CD2' ' CE1' ' A' ' 62' ' ' PHE . 19.1 t80 -113.08 113.13 25.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 1.5 p90 -138.67 178.48 7.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -106.18 121.96 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.656 HD13 ' CE2' ' A' ' 76' ' ' PHE . 3.6 tp -104.6 102.46 12.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.358 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.58 -100.42 0.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.48 -10.25 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.736 . . . . 0.0 110.311 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.72 147.67 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.73 168.69 14.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.698 ' CG2' ' CZ ' ' A' ' 76' ' ' PHE . 1.6 tt -161.4 128.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -135.31 118.13 16.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.506 HD12 ' C ' ' A' ' 55' ' ' HIS . 8.1 tp -110.06 148.53 31.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 6.2 p90 -159.05 157.38 31.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.513 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 6.8 tptt -117.46 102.11 8.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.6 t -114.23 -72.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.649 1.218 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.164 . . . . 0.0 110.979 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mtp . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.45 0.167 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -99.72 84.68 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.96 115.06 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -150.28 50.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.345 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.54 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -69.33 170.86 9.5 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -40.89 138.44 1.04 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 5' ' ' LYS . 69.7 t -125.81 150.35 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.2 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.076 HD11 HG21 ' A' ' 22' ' ' VAL . 1.7 mt -123.91 141.36 44.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HE3' ' CZ ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.91 -69.62 0.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -136.0 108.63 7.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB2' HG13 ' A' ' 74' ' ' ILE . . . -156.76 57.89 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 13' ' ' MET . 1.4 m-20 -49.89 -88.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.441 ' SD ' ' CD2' ' A' ' 72' ' ' HIS . 0.0 OUTLIER 36.84 -156.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 16' ' ' GLU . 11.9 t -109.01 131.94 54.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.108 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 1.5 tt0 -45.02 -24.03 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -56.4 -65.29 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.222 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 18' ' ' GLN . 5.2 ppp? -78.5 -36.53 44.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.454 ' N ' ' SD ' ' A' ' 17' ' ' MET . 2.5 tt0 -60.25 -48.01 83.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.356 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -70.68 -54.05 13.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 14.1 t70 -50.33 -45.36 54.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.068 . . . . 0.0 109.205 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . . . -66.52 -73.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.357 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.076 HG21 HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -36.82 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.384 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 21' ' ' ALA . 34.8 t70 -64.65 -61.89 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.386 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 76.7 m -57.36 -29.98 64.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 108.33 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.713 ' C ' HD21 ' A' ' 78' ' ' LEU . . . -66.42 -74.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.767 ' CA ' HD11 ' A' ' 78' ' ' LEU . 6.4 t -47.29 -46.26 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 26' ' ' THR . 11.1 mm-40 -59.07 -44.28 91.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.398 1.061 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -54.67 -51.57 65.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.807 ' HA ' HD13 ' A' ' 38' ' ' ILE . 3.3 tt -65.85 -26.89 67.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.23 3.5 39.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -125.74 -42.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -107.83 161.05 15.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -115.03 -25.06 8.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 37' ' ' ASP . 3.3 mp -84.36 85.53 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.907 ' HG3' HG11 ' A' ' 58' ' ' VAL . 3.5 tm-20 -34.69 -45.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -45.16 -51.47 10.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.597 1.185 . . . . 0.0 109.262 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -71.9 -27.92 63.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.807 HD13 ' HA ' ' A' ' 29' ' ' LEU . 10.0 mt -64.99 -68.17 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.602 ' HB1' ' SG ' ' A' ' 56' ' ' CYS . . . -57.35 -32.64 66.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 36' ' ' LYS . . . -66.23 -33.72 76.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.504 ' CE2' ' HG3' ' A' ' 45' ' ' GLU . 39.5 t80 -74.89 -36.58 62.24 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 39.0 mt -68.04 -55.69 15.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -51.03 70.58 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 18.0 ttpp -63.64 -35.02 79.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.504 ' HG3' ' CE2' ' A' ' 41' ' ' TYR . 2.9 mm-40 -53.55 -58.67 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.215 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.505 ' CE2' ' CE2' ' A' ' 50' ' ' TYR . 2.9 m-85 -73.51 -43.73 59.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.634 1.209 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 52' ' ' PRO . 8.1 t0 -48.24 -31.2 5.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 2.9 mmmt -50.3 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -141.3 71.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.505 ' CE2' ' CE2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -155.97 44.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 111.016 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 64.08 68.48 0.83 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.518 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.4 Cg_endo -74.99 164.24 33.77 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.475 1.776 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.521 ' O ' ' CE ' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -102.22 162.65 12.75 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 110.437 0.071 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 87' ' ' LYS . 21.1 m95 -112.97 159.69 18.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 108.035 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 53.0 m-70 -140.4 123.44 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.584 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.926 ' C ' HD12 ' A' ' 57' ' ' ILE . 15.2 p -119.59 143.56 47.58 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.926 HD12 ' C ' ' A' ' 56' ' ' CYS . 1.9 mp -124.68 152.37 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.907 HG11 ' HG3' ' A' ' 35' ' ' GLU . 60.2 t -134.72 96.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.374 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -136.09 -87.96 0.24 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.6 1.187 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -155.56 -42.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.234 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -139.72 -170.07 2.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.405 ' CD2' ' N ' ' A' ' 63' ' ' GLY . 51.2 p90 -128.72 -159.54 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.582 1.176 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' TYR . . . -168.3 -55.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.4 p -62.27 78.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 0.73 . . . . 0.0 109.971 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 63' ' ' GLY . 27.5 t80 -137.55 -50.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 66' ' ' VAL . 14.4 p -123.28 52.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 p -148.75 -56.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -110.51 -30.14 7.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.607 1.192 . . . . 0.0 109.59 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.66 160.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.2 p -138.29 -146.02 0.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.448 1.092 . . . . 0.0 110.427 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -112.29 -64.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.441 ' CD2' ' SD ' ' A' ' 13' ' ' MET . 17.9 m170 -130.69 127.87 39.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.642 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.45 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 5.1 p90 -152.25 166.32 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.589 HG13 ' HB2' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -160.92 117.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.435 ' CZ ' ' HE3' ' A' ' 9' ' ' LYS . 4.3 t80 -112.6 115.22 28.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.633 ' HE2' HD13 ' A' ' 78' ' ' LEU . 1.9 p90 -146.32 179.44 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.531 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 4.3 t80 -106.42 120.59 42.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.767 HD11 ' CA ' ' A' ' 26' ' ' THR . 5.0 tp -96.61 111.14 23.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.86 -81.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.568 1.167 . . . . 0.0 111.065 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.531 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -147.97 34.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.243 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 78' ' ' LEU . 4.4 p -145.07 154.12 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' ' 58' ' ' VAL . . . -87.89 141.2 28.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.805 HG13 HG22 ' A' ' 58' ' ' VAL . 2.3 tt -147.53 119.3 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 56' ' ' CYS . 0.7 OUTLIER -128.34 114.4 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' A' ' 56' ' ' CYS . 0.4 OUTLIER -109.44 142.5 40.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.492 ' HE2' HD13 ' A' ' 57' ' ' ILE . 46.3 p90 -154.64 160.17 41.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.638 ' HZ3' ' CA ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -114.86 100.86 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.638 ' CA ' ' HZ3' ' A' ' 87' ' ' LYS . 14.9 p -124.09 112.08 16.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 110.04 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.436 ' N ' ' NZ ' ' A' ' 87' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.411 0.148 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.34 65.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.78 174.62 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.434 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 1.7 mpt_? -132.71 -52.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.94 174.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.75 -61.66 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 4' ' ' ARG . 37.5 t 64.6 158.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.855 HD11 HG21 ' A' ' 22' ' ' VAL . 1.2 mp -150.77 138.83 14.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.2 -66.24 0.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -147.61 111.01 4.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' MET . . . -139.78 66.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.1 91.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -167.3 -177.75 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -89.84 146.56 24.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 0.1 OUTLIER -50.4 -20.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -60.52 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 110.264 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 1.3 mpp? -80.58 -33.77 35.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' O ' ' HB ' ' A' ' 22' ' ' VAL . 16.1 tt0 -65.12 -45.78 83.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.563 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -72.26 -52.34 16.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 24.8 t0 -55.61 -51.04 68.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -56.07 -66.38 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.378 1.049 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.855 HG21 HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -48.95 -23.22 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 20' ' ' ASP . 1.2 t0 -65.89 -60.42 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 35.1 m -63.33 -29.82 71.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 108.348 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.707 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -64.93 -70.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.441 ' HA ' HD22 ' A' ' 78' ' ' LEU . 14.8 t -48.38 -46.28 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -59.25 -43.62 92.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.528 ' HB2' ' CE2' ' A' ' 41' ' ' TYR . . . -53.91 -52.26 61.13 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.444 1.09 . . . . 0.0 109.355 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -24.72 66.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -87.85 9.4 22.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -134.3 -44.62 0.77 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.072 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -95.62 -170.46 2.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.47 1.106 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -144.29 -45.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 37' ' ' ASP . 2.3 mp -67.56 84.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.227 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.68 ' HA ' HD12 ' A' ' 38' ' ' ILE . 3.4 mt-10 -32.55 -42.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.377 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -51.3 -53.32 37.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.544 ' N ' ' O ' ' A' ' 34' ' ' ILE . 12.0 t0 -69.69 -25.83 64.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 35' ' ' GLU . 24.2 mt -64.74 -50.29 76.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.569 1.168 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.445 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . . . -66.0 -39.64 90.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.66 -30.47 70.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.528 ' CE2' ' HB2' ' A' ' 28' ' ' ALA . 24.8 t80 -72.06 -39.44 69.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.524 HG22 HD13 ' A' ' 85' ' ' LEU . 32.4 mt -66.82 -61.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -50.27 -51.89 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.371 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' HA ' ' OD2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -61.02 -37.32 82.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -54.94 -51.43 66.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 110.302 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.595 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 0.5 OUTLIER -75.52 -64.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.108 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -38.01 -33.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.355 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' N ' ' OD2' ' A' ' 47' ' ' ASP . 2.2 tppp? -36.17 -75.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -138.89 65.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.595 ' CD2' ' CD1' ' A' ' 46' ' ' PHE . 2.4 t80 -138.83 -68.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -175.54 73.2 0.28 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.437 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.3 Cg_endo -75.15 160.46 39.63 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.69 HG23 ' NE2' ' A' ' 55' ' ' HIS . 4.9 t -99.49 156.79 16.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 0.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.502 ' CE3' HD21 ' A' ' 85' ' ' LEU . 44.9 m95 -108.94 157.98 18.13 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.69 ' NE2' HG23 ' A' ' 53' ' ' THR . 17.6 m-70 -140.8 110.85 6.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.626 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 84' ' ' LEU . 4.2 t -119.65 155.0 33.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 108.185 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.603 ' H ' HD13 ' A' ' 84' ' ' LEU . 26.8 mm -135.34 164.9 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.483 ' N ' HG22 ' A' ' 57' ' ' ILE . 96.4 t -130.07 87.47 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.93 -98.63 0.9 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.387 1.055 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.3 -42.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 0.749 . . . . 0.0 110.318 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -133.82 -167.11 1.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -105.41 -144.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.61 -79.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.1 p -98.53 87.26 3.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.442 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 2.2 t80 -131.61 -44.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.988 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.7 p -91.89 37.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.539 HG23 ' H ' ' A' ' 68' ' ' HIS . 1.4 t -155.28 -58.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.395 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.539 ' H ' HG23 ' A' ' 67' ' ' THR . 79.7 t60 -97.32 -31.38 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.56 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 68' ' ' HIS . 11.7 pt-20 45.61 -172.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.126 . . . . 0.0 110.234 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.414 ' CG2' ' C ' ' A' ' 69' ' ' GLU . 24.4 p -149.04 -146.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.405 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -104.92 -64.35 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -128.44 119.93 25.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 0.0 109.609 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 2.1 p90 -139.99 160.39 40.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.622 1.201 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.513 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -161.26 119.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.416 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -115.07 114.95 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.577 ' HE2' ' HB1' ' A' ' 25' ' ' ALA . 1.5 p90 -140.45 -179.68 6.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.097 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 3.7 t80 -111.31 112.53 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.099 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.778 HD12 HD13 ' A' ' 83' ' ' ILE . 18.1 mt -90.27 117.65 29.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 64.33 -84.86 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.505 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 11.1 pt20 -147.42 28.57 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.242 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.657 HG11 ' HG2' ' A' ' 35' ' ' GLU . 7.2 p -139.83 162.34 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.6 152.48 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.778 HD13 HD12 ' A' ' 78' ' ' LEU . 8.0 tt -152.51 121.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 109.308 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.978 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -117.41 122.76 44.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.718 ' N ' HD22 ' A' ' 84' ' ' LEU . 8.5 tt -122.4 128.91 51.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.418 1.074 . . . . 0.0 109.361 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.744 ' HD2' HD21 ' A' ' 84' ' ' LEU . 5.6 p90 -145.85 147.96 32.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.462 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -104.08 121.54 43.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.47 111.43 5.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.935 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.465 0.174 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.79 89.12 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -124.05 163.47 21.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -142.36 -64.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.187 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.11 -166.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.497 ' O ' HD12 ' A' ' 8' ' ' ILE . . . -46.05 104.14 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.705 ' C ' HD12 ' A' ' 8' ' ' ILE . 45.3 t -66.07 162.75 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.705 HD12 ' C ' ' A' ' 7' ' ' VAL . 1.8 mp -134.52 133.12 54.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -89.83 -61.12 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -147.02 134.58 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.219 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.52 ' CB ' ' NE2' ' A' ' 18' ' ' GLN . . . -153.08 -47.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 13' ' ' MET . 0.4 OUTLIER 64.36 -162.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 0.0 109.253 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.538 ' CE ' ' CE1' ' A' ' 72' ' ' HIS . 1.4 ttt 76.96 -171.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.43 ' CB ' ' HG2' ' A' ' 16' ' ' GLU . 7.1 t -89.5 142.3 27.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.588 1.18 . . . . 0.0 110.024 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -47.36 -23.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.398 1.061 . . . . 0.0 110.381 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HG2' ' CB ' ' A' ' 14' ' ' SER . 9.2 pt-20 -59.7 -52.64 64.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.414 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -79.48 -41.16 28.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 111.054 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.52 ' NE2' ' CB ' ' A' ' 11' ' ' ALA . 2.5 tp60 -61.12 -43.74 98.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -70.57 -56.58 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.222 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 38.5 t0 -50.66 -44.32 57.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' C ' ' N ' ' A' ' 23' ' ' ASP . . . -65.42 -70.9 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 1.082 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.663 HG21 HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -41.16 -29.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 8.0 t70 -65.12 -62.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 96.9 m -56.68 -29.86 62.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 108.249 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.96 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -65.84 -73.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.553 ' HA ' HD22 ' A' ' 78' ' ' LEU . 16.3 m -48.73 -50.32 34.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -54.18 -49.16 69.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -50.95 -52.6 40.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.367 1.042 . . . . 0.0 109.228 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -65.84 -22.08 66.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.24 9.36 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -132.38 -45.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.653 1.221 . . . . 0.0 109.236 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.422 ' CB ' HG12 ' A' ' 38' ' ' ILE . 43.6 m-85 -96.5 176.85 5.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 111.046 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -130.66 -43.61 1.11 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.43 1.081 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' A' ' 37' ' ' ASP . 2.9 mt -67.62 83.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.631 ' HA ' HD12 ' A' ' 38' ' ' ILE . 7.7 mp0 -33.79 -43.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 110.261 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.39 -51.04 49.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 34' ' ' ILE . 6.7 t70 -71.72 -24.46 61.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 35' ' ' GLU . 20.6 mt -66.02 -51.95 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.716 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -65.48 -42.34 92.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.28 -28.76 68.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.489 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 1.5 t80 -74.32 -37.24 63.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 39' ' ' ALA . 9.9 mt -66.89 -52.79 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -60.35 -49.66 76.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' HA ' ' OD1' ' A' ' 47' ' ' ASP . 15.7 ttpt -59.09 -41.26 87.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 45' ' ' GLU . 10.2 tm-20 -54.74 -52.64 61.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.19 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -73.44 -65.92 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -36.75 -32.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.07 . . . . 0.0 109.342 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.512 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -36.09 -80.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -132.92 66.57 1.56 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.399 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -138.99 -68.72 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.071 . . . . 0.0 111.081 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 1.6 m120 -176.03 73.17 0.26 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.402 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.7 Cg_endo -74.92 160.3 40.56 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.57 1.826 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.402 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 3.4 t -99.61 158.23 15.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -0.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.574 ' CZ3' ' HB2' ' A' ' 87' ' ' LYS . 44.7 m95 -111.52 171.98 7.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.009 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 24.2 m-70 -140.58 112.65 7.73 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.463 1.102 . . . . 0.0 109.638 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.82 ' SG ' HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -102.82 133.91 47.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 1.154 . . . . 0.0 108.255 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 58' ' ' VAL . 36.3 mm -135.33 164.19 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.461 ' N ' HG22 ' A' ' 57' ' ' ILE . 2.1 p -135.63 93.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.34 -104.53 1.99 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.542 1.152 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -155.35 -43.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.395 0.703 . . . . 0.0 110.314 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -134.1 -69.19 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' HA ' ' CE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -135.23 -159.2 0.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.379 1.049 . . . . 0.0 111.043 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.8 143.99 4.24 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.2 p 52.64 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.625 0.838 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.471 ' CE2' ' CE1' ' A' ' 73' ' ' PHE . 7.1 t80 -160.92 -44.73 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.564 1.165 . . . . 0.0 111.086 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.5 t -109.77 42.93 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.541 HG22 ' N ' ' A' ' 68' ' ' HIS . 0.9 OUTLIER -155.26 -68.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 110.457 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.541 ' N ' HG22 ' A' ' 67' ' ' THR . 47.2 m-70 -105.31 50.38 0.78 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 0.0 109.546 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' HIS . 56.0 mt-10 -37.86 151.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.625 HG21 ' HD2' ' A' ' 86' ' ' PHE . 46.0 p -127.28 -148.41 0.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -110.34 -67.1 1.01 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.538 ' CE1' ' CE ' ' A' ' 13' ' ' MET . 0.4 OUTLIER -123.78 111.99 16.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.559 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 12.3 p90 -124.25 161.37 25.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.415 1.072 . . . . 0.0 111.088 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.575 HG12 ' CD1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER -159.66 105.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 1.011 ' CE2' HD22 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -107.33 104.25 13.81 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.575 ' CD1' HG12 ' A' ' 74' ' ' ILE . 2.0 p90 -133.08 -179.37 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.173 . . . . 0.0 111.054 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 5.7 t80 -105.56 132.96 51.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.96 HD11 ' HB1' ' A' ' 25' ' ' ALA . 19.1 mt -115.58 107.68 15.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.13 -92.33 0.3 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -135.34 19.59 3.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 110.315 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.601 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 14.5 m -133.48 170.27 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.58 163.03 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.225 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.528 HG23 ' CE1' ' A' ' 76' ' ' PHE . 1.5 tp -154.9 126.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.011 HD22 ' CE2' ' A' ' 75' ' ' TYR . 27.8 tp -128.12 109.07 11.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.184 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.82 HD12 ' SG ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -111.13 122.14 47.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.355 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.625 ' HD2' HG21 ' A' ' 70' ' ' THR . 6.6 p90 -142.17 140.45 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -93.01 108.81 20.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.4 t -126.96 139.7 52.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.574 0.226 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -142.42 92.4 2.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 1.074 . . . . 0.0 110.035 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -110.99 155.5 22.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.8 mtp85 -143.88 35.65 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -47.14 125.29 7.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.62 101.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.0 t -86.8 157.54 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.907 HD11 HG21 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -140.55 132.96 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 75' ' ' TYR . 0.3 OUTLIER -90.25 -90.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.602 1.189 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -112.47 108.32 17.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.025 ' CB ' HD13 ' A' ' 74' ' ' ILE . . . -132.12 -55.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.488 ' O ' ' C ' ' A' ' 13' ' ' MET . 1.0 OUTLIER 54.46 -96.01 0.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.561 ' HG2' ' CE1' ' A' ' 72' ' ' HIS . 2.5 tpt 30.52 -146.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.461 ' C ' ' N ' ' A' ' 16' ' ' GLU . 7.2 t -119.54 137.13 54.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 8.8 tt0 -41.24 -25.94 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.479 1.112 . . . . 0.0 110.198 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 14' ' ' SER . 2.3 mt-10 -60.68 -54.99 38.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.509 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.6 mpt? -81.57 -35.15 30.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' O ' HG12 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -66.3 -46.61 76.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.363 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -70.88 -47.1 61.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 23' ' ' ASP . 9.3 t0 -61.75 -44.76 96.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.369 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 17' ' ' MET . . . -64.95 -64.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.907 HG21 HD11 ' A' ' 8' ' ' ILE . 3.1 p -51.24 -24.62 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -65.98 -65.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.8 m -58.57 -30.12 66.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.564 1.165 . . . . 0.0 108.308 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.831 ' HB1' HD11 ' A' ' 78' ' ' LEU . . . -65.15 -73.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.551 ' HA ' HD22 ' A' ' 78' ' ' LEU . 1.1 m -47.65 -42.19 23.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 110.493 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.7 -41.72 99.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.491 ' C ' ' CD1' ' A' ' 38' ' ' ILE . . . -54.5 -50.9 66.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 78' ' ' LEU . 5.4 tt -65.45 -18.21 65.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.53 8.26 44.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.591 1.182 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -130.12 -46.39 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.469 ' HB2' ' CD1' ' A' ' 38' ' ' ILE . 26.2 m-85 -106.05 160.4 15.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -114.78 -12.07 12.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.96 105.61 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.788 ' HG3' HG21 ' A' ' 81' ' ' VAL . 3.3 mm-40 -51.01 -47.11 61.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -50.72 -45.5 58.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 41' ' ' TYR . 5.1 t0 -74.98 -24.32 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.491 ' CD1' ' C ' ' A' ' 28' ' ' ALA . 1.6 mm -68.11 -63.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.972 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -60.89 -38.03 84.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 36' ' ' LYS . . . -66.76 -31.1 71.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 11.5 t80 -75.83 -36.75 59.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.972 HD12 ' HA ' ' A' ' 39' ' ' ALA . 6.9 mt -65.3 -51.26 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -60.65 -47.77 84.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -59.35 -42.07 90.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' C ' ' CD ' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -56.43 -48.12 77.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.472 ' O ' ' C ' ' A' ' 47' ' ' ASP . 1.8 m-85 -74.26 -70.01 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.071 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.477 ' O ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -34.63 -38.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -33.08 -79.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -134.56 66.7 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -139.78 -69.62 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.404 ' O ' ' NE1' ' A' ' 54' ' ' TRP . 18.2 t-20 -176.86 73.67 0.24 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.544 1.152 . . . . 0.0 109.236 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.442 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -74.97 160.44 40.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.468 1.773 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.455 ' O ' ' CD ' ' A' ' 87' ' ' LYS . 9.7 t -99.56 155.45 17.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 -0.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.507 ' CZ3' ' HB3' ' A' ' 72' ' ' HIS . 45.8 m95 -107.92 168.81 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 107.998 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 38.6 m-70 -140.5 116.73 10.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.68 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.963 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 t -113.42 137.35 51.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 108.278 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.963 HD12 ' C ' ' A' ' 56' ' ' CYS . 2.1 mp -130.3 150.73 34.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 82' ' ' ALA . 21.4 t -134.54 98.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.96 -94.07 0.55 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.98 -43.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.428 0.722 . . . . 0.0 110.279 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.498 ' ND2' ' H ' ' A' ' 62' ' ' PHE . 3.9 t30 -137.02 -165.92 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.498 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 6.6 p90 -140.53 -148.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.444 ' N ' ' CG ' ' A' ' 62' ' ' PHE . . . 140.42 69.14 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.98 91.78 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -160.32 -51.09 0.05 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.538 ' O ' HG22 ' A' ' 66' ' ' VAL . 7.1 p -94.24 46.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 m -155.01 -63.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.57 -38.46 9.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.64 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.49 154.76 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.6 p -142.58 -146.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -127.98 -71.85 0.64 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.404 1.065 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 13' ' ' MET . 3.8 t-80 -114.85 112.71 23.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.63 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -140.69 150.56 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 110.961 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 1.025 HD13 ' CB ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -161.85 115.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.822 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.2 t80 -111.28 120.72 43.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 1.4 p90 -142.53 -179.61 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.587 ' CE2' ' HA ' ' A' ' 80' ' ' GLN . 4.5 t80 -110.9 117.06 32.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.831 HD11 ' HB1' ' A' ' 25' ' ' ALA . 15.1 mt -92.8 116.48 29.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.386 1.053 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.41 -81.37 0.01 OUTLIER Glycine 0 CA--C 1.532 1.115 0 O-C-N 124.432 1.082 . . . . 0.0 111.003 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.587 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 4.6 mt-30 -149.43 36.89 0.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.788 HG21 ' HG3' ' A' ' 35' ' ' GLU . 7.1 p -145.15 160.04 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.62 1.2 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.588 ' O ' HG13 ' A' ' 58' ' ' VAL . . . -93.67 144.85 25.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.618 HD13 HD12 ' A' ' 78' ' ' LEU . 5.6 tt -149.53 117.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.22 118.26 30.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.39 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 56' ' ' CYS . 1.1 tp -114.81 134.26 55.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.172 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 45.4 p90 -153.82 148.61 26.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 53' ' ' THR . 3.4 tptt -112.97 112.1 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.0 t -128.62 146.98 50.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.417 1.073 . . . . 0.0 109.986 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 110.94 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 mmt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.568 0.223 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.84 115.92 5.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.098 . . . . 0.0 109.952 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.13 173.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.64 -44.36 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.537 ' O ' HG23 ' A' ' 7' ' ' VAL . 5.4 mtpt 63.76 -171.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.61 1.194 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -41.49 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 5' ' ' LYS . 42.7 t -135.38 159.67 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.881 HD11 HG21 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -120.21 140.7 43.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.595 1.184 . . . . 0.0 109.254 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 -77.12 0.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.442 1.089 . . . . 0.0 109.214 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -138.24 124.81 20.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.247 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.468 ' CB ' HG13 ' A' ' 74' ' ' ILE . . . -162.84 89.15 0.64 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -63.64 95.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.421 ' HE1' ' CB ' ' A' ' 17' ' ' MET . 2.0 ttt -165.69 179.35 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 111.035 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.428 ' C ' ' N ' ' A' ' 16' ' ' GLU . 45.1 t -93.29 140.58 29.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 19' ' ' GLN . 3.0 tt0 -45.42 -23.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 14' ' ' SER . 1.7 tm-20 -59.11 -59.85 4.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.421 ' CB ' ' HE1' ' A' ' 13' ' ' MET . 5.2 mmt -80.19 -36.57 34.75 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -62.46 -47.9 82.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.237 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -71.27 -48.27 51.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 12.5 t70 -55.76 -44.68 77.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 23' ' ' ASP . . . -67.69 -73.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.203 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.961 HG23 ' CD2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -41.0 -30.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.384 1.053 . . . . 0.0 109.23 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 7.2 t70 -66.71 -57.99 6.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.613 1.196 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.2 m -53.9 -48.62 69.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 108.206 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.999 ' O ' HD11 ' A' ' 78' ' ' LEU . . . -58.41 -49.13 78.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -50.17 -59.94 3.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 110.354 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -59.78 -35.01 73.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.228 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 25' ' ' ALA . . . -51.19 -58.82 5.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.657 ' HB2' HD12 ' A' ' 78' ' ' LEU . 6.9 tt -66.28 -31.93 73.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -70.13 -6.86 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.68 -39.74 2.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -100.2 -171.8 2.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -142.28 -44.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 37' ' ' ASP . 7.6 mt -67.33 86.28 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.926 ' HG2' HG21 ' A' ' 81' ' ' VAL . 2.6 mt-10 -34.42 -41.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -51.69 -53.95 33.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -67.31 -28.93 68.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.068 . . . . 0.0 109.217 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 29' ' ' LEU . 13.0 mt -63.77 -47.13 92.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 42' ' ' ILE . . . -65.94 -39.31 90.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.3 -31.08 71.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.24 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 1.0 OUTLIER -71.85 -38.72 70.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.903 -179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 39' ' ' ALA . 24.9 mt -65.65 -54.1 31.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -54.49 -47.12 73.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.22 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 18.5 ttmm -63.8 -38.39 90.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.26 -56.97 12.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -72.71 -44.45 61.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 52' ' ' PRO . 0.8 OUTLIER -50.28 -26.33 4.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.243 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.418 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 0.7 OUTLIER -44.11 -86.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.227 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.24 70.49 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -137.15 -69.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.41 ' O ' ' HD3' ' A' ' 87' ' ' LYS . 5.0 t-20 -177.49 70.84 0.22 Allowed Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.573 1.171 . . . . 0.0 109.281 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HG3' ' O ' ' A' ' 47' ' ' ASP . 18.4 Cg_endo -75.0 159.56 41.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.4 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 8.5 t -98.75 152.8 19.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 110.438 0.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.515 ' CE3' HD21 ' A' ' 85' ' ' LEU . 40.8 m95 -104.22 169.5 8.45 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 93.2 m-70 -140.63 116.88 10.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.639 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.758 ' HB2' HD12 ' A' ' 85' ' ' LEU . 10.4 t -112.65 143.27 44.13 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 108.318 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.9 mm -130.23 151.67 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.701 HG22 ' H ' ' A' ' 59' ' ' GLY . 3.7 p -136.23 -178.75 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.207 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.701 ' H ' HG22 ' A' ' 58' ' ' VAL . . . 130.67 -119.64 2.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -155.63 22.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 0.762 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -132.34 169.21 16.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.402 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.422 ' O ' ' CG ' ' A' ' 62' ' ' PHE . 6.5 t80 -155.05 92.72 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -132.83 77.5 0.38 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.578 1.173 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 p -174.1 78.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 109.99 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -160.18 -45.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.4 1.062 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.4 t -120.78 57.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.3 m -150.15 -62.99 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -107.34 -31.76 8.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.159 . . . . 0.0 109.617 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 62.11 150.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.9 p -134.48 -148.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.592 1.183 . . . . 0.0 110.389 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -97.97 -62.51 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 30.9 m-70 -140.19 117.62 11.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.65 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -128.18 166.97 17.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 111.042 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.597 HG12 ' CD1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -160.5 121.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.412 1.07 . . . . 0.0 109.241 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -113.85 119.14 36.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 111.071 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.961 ' CD2' HG23 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -152.21 -179.87 7.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 81' ' ' VAL . 8.9 t80 -99.76 125.97 45.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.999 HD11 ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -107.87 112.79 25.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.465 ' HA3' ' CD2' ' A' ' 29' ' ' LEU . . . 66.24 -91.63 0.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.477 1.111 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.519 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -138.03 24.14 2.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 0.786 . . . . 0.0 110.327 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.926 HG21 ' HG2' ' A' ' 35' ' ' GLU . 33.0 m -141.17 178.09 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -97.04 157.38 15.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.409 HG23 ' CE1' ' A' ' 76' ' ' PHE . 2.5 tt -154.01 122.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.356 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.44 120.7 28.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.758 HD12 ' HB2' ' A' ' 56' ' ' CYS . 0.7 OUTLIER -118.16 151.07 38.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 55' ' ' HIS . 33.0 p90 -159.19 147.56 17.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 111.062 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.418 ' HE2' ' N ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -99.03 102.95 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.418 ' N ' ' HE2' ' A' ' 87' ' ' LYS . 43.1 t -107.89 -63.64 1.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.038 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 179.923 . . . . . . . . 0 0 . 1 stop_ save_